data_2l7f_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l7f _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 121.095 0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.018 0.437 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 121.063 0.458 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.886 0.374 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.62 0.248 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.124 0.488 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.638 0.256 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.99 0.424 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.124 0.487 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.029 0.442 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 121.214 0.53 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.369 0.604 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.985 0.421 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.027 0.441 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 4.5 t 59.23 -179.55 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.022 1.729 . . . . 0.0 114.498 -173.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.81 141.13 40.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.935 1.294 . . . . 0.0 112.037 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -90.83 -20.78 21.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 113.774 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -61.19 129.29 40.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.484 1.514 . . . . 0.0 111.984 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.61 165.76 26.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.593 1.957 . . . . 0.0 111.303 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -124.27 147.67 47.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.924 1.69 . . . . 0.0 111.772 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -141.29 156.53 45.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.184 1.394 . . . . 0.0 112.615 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -134.78 165.35 25.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.505 1.522 . . . . 0.0 110.415 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.5 119.27 17.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -168.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -78.69 164.97 24.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.373 1.069 . . . . 0.0 111.915 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -64.22 -38.97 92.96 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.69 -41.1 84.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.648 1.179 . . . . 0.0 111.903 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.97 99.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.708 0.686 . . . . 0.0 111.986 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.695 1.198 . . . . 0.0 113.397 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -68.61 -41.84 78.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.869 0.868 . . . . 0.0 112.457 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -76.74 -37.76 55.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 0.0 114.169 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -72.46 158.24 36.12 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -13.15 60.55 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -178.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -69.04 155.32 40.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.233 1.413 . . . . 0.0 113.043 -169.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -109.4 151.18 26.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.709 1.604 . . . . 0.0 113.403 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 54.88 26.86 8.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.305 1.842 . . . . 0.0 115.811 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -9.07 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.061 1.344 . . . . 0.0 114.531 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -129.34 134.34 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.053 1.741 . . . . 0.0 109.053 171.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -73.98 138.21 44.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.388 1.075 . . . . 0.0 111.873 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.103 1.761 . . . . 0.0 112.549 177.348 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.4 m -67.67 149.06 50.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.986 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.98 -13.69 58.65 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -75.73 158.17 32.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.9 1.28 . . . . 0.0 113.238 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -72.96 167.76 20.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.85 1.26 . . . . 0.0 112.551 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -64.84 144.77 57.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.852 0.861 . . . . 0.0 112.787 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -77.75 -23.89 49.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.722 1.209 . . . . 0.0 113.762 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.87 142.13 58.02 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 113.377 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -103.47 -49.71 3.63 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.833 1.253 . . . . 0.0 112.911 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -61.83 146.05 50.77 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.227 1.011 . . . . 0.0 112.736 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -104.57 163.96 12.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.339 1.055 . . . . 0.0 112.078 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.67 -45.46 94.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -60.96 -41.79 97.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.272 1.029 . . . . 0.0 112.243 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.11 94.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.112 0.869 . . . . 0.0 112.225 176.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 -27.26 64.63 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.276 1.031 . . . . 0.0 113.616 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -78.7 -42.78 27.51 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 112.697 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -83.53 -37.45 23.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.031 1.332 . . . . 0.0 113.463 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 60.67 -58.7 0.08 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 129.198 2.999 . . . . 0.0 117.308 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER -85.02 17.36 2.95 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -171.012 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.23 159.04 24.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.44 1.096 . . . . 0.0 113.348 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -118.15 158.32 25.29 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.557 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -82.38 -3.38 55.43 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mm -73.29 128.26 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.503 1.121 . . . . 0.0 110.738 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.93 4.69 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.499 1.519 . . . . 0.0 113.714 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -86.51 -7.14 58.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.418 1.487 . . . . 0.0 114.493 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 112.665 178.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 9.8 t -74.37 155.82 37.72 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.982 0.913 . . . . 0.0 112.818 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -135.34 137.53 42.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.886 1.674 . . . . 0.0 109.996 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 59.71 -14.15 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.031 2.532 . . . . 0.0 116.883 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.45 163.65 12.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.834 2.054 . . . . 0.0 110.313 173.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 52.0 -144.45 0.6 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.872 1.269 . . . . 0.0 111.609 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 56.22 20.9 4.85 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 126.447 1.899 . . . . 0.0 115.025 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 20.3 p -67.6 154.93 40.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.219 1.008 . . . . 0.0 112.104 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 t60 63.16 160.59 0.09 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.478 1.911 . . . . 0.0 114.354 -169.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -68.61 152.41 45.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p -146.01 167.76 22.57 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.028 2.531 . . . . 0.0 108.662 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -58.88 -42.88 90.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -70.44 -38.85 74.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.838 1.255 . . . . 0.0 112.745 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.72 99.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.248 0.619 . . . . 0.0 112.003 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -72.39 -26.73 62.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.428 1.091 . . . . 0.0 113.745 176.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.8 -44.67 66.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.861 0.864 . . . . 0.0 112.008 169.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -74.86 -30.48 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.673 1.189 . . . . 0.0 113.275 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 65.6 pttt 45.85 30.84 0.93 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.497 2.719 . . . . 0.0 116.503 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 53.71 23.61 3.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.789 2.036 . . . . 0.0 114.628 -171.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -95.36 -13.8 24.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.03 1.732 . . . . 0.0 111.757 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 64.51 171.76 0.19 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.703 2.401 . . . . 0.0 115.256 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -140.98 158.7 43.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.34 1.456 . . . . 0.0 111.526 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.0 pt -67.77 152.23 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.805 1.242 . . . . 0.0 113.503 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 11.4 p -150.66 151.16 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.575 1.55 . . . . 0.0 110.796 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -64.52 138.49 58.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.721 1.208 . . . . 0.0 111.709 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.254 1.422 . . . . 0.0 114.484 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 15.4 m -79.97 25.23 0.37 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.15 39.67 30.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.084 1.754 . . . . 0.0 114.035 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -95.91 152.92 18.06 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.712 1.605 . . . . 0.0 111.65 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? 51.17 47.3 25.11 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.882 1.673 . . . . 0.0 113.343 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -64.28 -30.51 71.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.042 0.937 . . . . 0.0 112.4 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -146.62 167.97 22.45 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.679 1.992 . . . . 0.0 111.57 169.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m 63.47 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.194 2.198 . . . . 0.0 113.449 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.02 164.54 17.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 0.0 113.043 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 64.08 154.16 0.05 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.352 2.661 . . . . 0.0 114.563 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -79.07 161.37 26.6 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.984 -1.072 . . . . 0.0 111.779 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.12 -49.1 79.17 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.13 -44.39 92.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.99 . . . . 0.0 111.786 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.57 88.04 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.504 0.593 . . . . 0.0 112.412 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.15 -31.02 70.28 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.301 1.04 . . . . 0.0 113.26 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -78.33 -45.76 21.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.064 1.345 . . . . 0.0 112.854 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -77.92 -41.12 37.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.595 1.158 . . . . 0.0 113.342 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 56.5 -175.9 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.604 1.962 . . . . 0.0 114.342 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -70.37 142.66 52.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.46 1.504 . . . . 0.0 111.184 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -108.15 149.4 28.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.875 1.67 . . . . 0.0 111.833 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.61 2.54 2.69 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 113.281 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.53 149.29 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.702 -1.249 . . . . 0.0 112.726 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.2 tp -78.31 -13.84 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.109 1.363 . . . . 0.0 113.897 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t 57.96 63.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.943 1.697 . . . . 0.0 111.536 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.6 m -59.01 138.72 57.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.285 1.434 . . . . 0.0 112.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.176 1.39 . . . . 0.0 113.878 178.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.2 m -67.02 150.95 48.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.581 1.153 . . . . 0.0 113.281 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -134.53 158.86 42.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.788 1.635 . . . . 0.0 111.349 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -129.24 147.14 51.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.65 1.58 . . . . 0.0 111.621 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -142.5 156.89 45.19 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.384 1.873 . . . . 0.0 111.712 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -75.64 156.28 35.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.108 0.963 . . . . 0.0 111.353 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -128.12 126.93 42.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.899 1.28 . . . . 0.0 112.257 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 30.1 p 48.43 34.59 4.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.247 2.219 . . . . 0.0 115.963 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -115.26 158.31 22.5 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.796 1.638 . . . . 0.0 111.898 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.06 156.58 38.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t -130.95 166.79 20.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -66.27 -31.46 72.27 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -90.05 -27.48 19.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.956 0.902 . . . . 0.0 113.176 174.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.28 93.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.454 0.701 . . . . 0.0 112.004 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -67.25 -29.61 69.29 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.373 1.069 . . . . 0.0 113.663 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -72.85 -46.45 52.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.558 1.143 . . . . 0.0 112.395 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -90.64 -29.52 17.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 59.66 162.79 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 128.651 2.78 . . . . 0.0 115.66 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -121.27 153.24 37.93 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.255 1.822 . . . . 0.0 110.728 172.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.7 119.25 23.6 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.623 0.769 . . . . 0.0 111.385 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.36 -17.52 58.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -115.08 36.18 4.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.036 1.734 . . . . 0.0 111.863 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -62.24 -24.04 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.782 1.233 . . . . 0.0 113.009 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.47 148.49 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.3 1.84 . . . . 0.0 110.298 172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.8 m -74.68 -28.97 61.06 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.489 1.116 . . . . 0.0 113.335 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.65 1.58 . . . . 0.0 114.322 -176.249 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m 55.21 33.63 20.99 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -139.72 157.7 45.33 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.131 1.772 . . . . 0.0 111.477 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -89.44 8.02 32.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.625 1.57 . . . . 0.0 113.732 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.37 36.36 26.93 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.759 2.024 . . . . 0.0 112.249 -173.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -82.8 152.2 25.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.268 1.827 . . . . 0.0 112.936 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 46.42 50.29 12.6 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.499 1.92 . . . . 0.0 113.987 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -65.13 -38.34 90.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 0.0 113.704 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . 0.574 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 1.9 t60 52.33 -162.05 0.09 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.62 1.968 . . . . 0.0 114.413 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.574 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 90.1 m-85 -129.6 158.43 39.31 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.746 2.018 . . . . 0.0 110.669 170.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t -136.91 161.66 35.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.565 1.146 . . . . 0.0 111.537 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -69.15 -39.83 78.58 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -66.58 -38.6 87.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.206 1.002 . . . . 0.0 112.056 174.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.74 94.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.978 0.808 . . . . 0.0 112.156 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.33 -41.69 98.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 0.0 112.409 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -62.15 -47.33 85.01 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.712 0.805 . . . . 0.0 111.969 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -60.27 -36.06 76.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.508 1.123 . . . . 0.0 112.493 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.45 -34.66 70.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.896 1.278 . . . . 0.0 112.939 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -77.47 -33.81 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.94 1.296 . . . . 0.0 113.342 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.39 161.57 30.65 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.721 1.209 . . . . 0.0 112.857 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.12 146.88 37.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 110.848 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -83.06 -18.18 40.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.444 1.098 . . . . 0.0 113.909 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.285 41.1 pt 48.28 35.02 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 127.703 2.401 . . . . 0.0 115.5 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.86 -36.91 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.372 1.069 . . . . 0.0 111.621 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 23.0 p -89.54 149.77 22.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.506 1.523 . . . . 0.0 112.509 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.136 1.774 . . . . 0.0 112.594 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -69.31 148.03 50.3 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.368 1.067 . . . . 0.0 113.212 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.53 151.06 45.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.715 0.806 . . . . 0.0 111.855 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.64 26.3 4.04 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.644 1.577 . . . . 0.0 113.945 -177.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 163.13 28.26 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.062 1.745 . . . . 0.0 111.991 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -133.17 145.99 51.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.256 1.422 . . . . 0.0 111.284 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -79.21 137.25 37.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.145 1.378 . . . . 0.0 111.722 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -131.76 135.25 46.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.723 1.609 . . . . 0.0 109.802 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -112.93 12.75 19.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.698 1.599 . . . . 0.0 114.105 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -101.09 165.28 11.39 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.952 1.701 . . . . 0.0 111.332 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -123.1 152.16 41.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.995 1.318 . . . . 0.0 111.069 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.92 -45.97 82.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -70.94 -43.52 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.391 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.53 -46.65 87.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.224 0.61 . . . . 0.0 112.313 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.35 -21.56 60.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.499 1.119 . . . . 0.0 113.318 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -74.11 -49.39 24.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.326 1.05 . . . . 0.0 111.579 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -76.68 -34.91 58.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.185 0.994 . . . . 0.0 113.607 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -136.44 166.82 22.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.59 1.956 . . . . 0.0 111.696 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -91.5 155.99 18.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.314 1.046 . . . . 0.0 110.918 169.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.22 -4.95 59.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -72.63 138.34 46.67 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.234 -0.916 . . . . 0.0 111.174 170.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -142.88 168.17 20.34 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.738 1.215 . . . . 0.0 112.841 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -141.32 153.92 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.839 1.656 . . . . 0.0 110.453 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.78 -11.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 31.6 p -80.82 150.59 29.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.972 1.309 . . . . 0.0 113.059 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.172 1.389 . . . . 0.0 113.537 177.196 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -78.42 49.22 0.83 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.867 1.667 . . . . 0.0 114.181 -173.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -77.54 138.52 39.23 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.09 1.356 . . . . 0.0 111.544 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 55.89 176.57 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.627 2.371 . . . . 0.0 114.632 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.49 155.86 40.1 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.255 1.422 . . . . 0.0 111.812 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.72 -28.42 68.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.368 1.067 . . . . 0.0 113.547 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.95 172.35 13.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.692 1.597 . . . . 0.0 111.681 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 41.9 p -72.08 149.25 45.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.839 0.856 . . . . 0.0 112.712 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -89.45 170.38 10.57 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.356 1.462 . . . . 0.0 111.584 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -58.02 148.91 24.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t -136.96 162.1 34.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.441 1.496 . . . . 0.0 110.692 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -59.55 -42.23 91.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -62.76 -43.87 97.68 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.982 0.913 . . . . 0.0 112.266 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.43 77.98 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.359 0.664 . . . . 0.0 112.734 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.84 -45.1 45.51 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.433 1.093 . . . . 0.0 112.521 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -68.53 -43.16 77.32 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.172 1.389 . . . . 0.0 113.014 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -4.1 58.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.823 1.249 . . . . 0.0 113.505 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 58.51 163.5 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.274 2.63 . . . . 0.0 114.586 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.53 -38.64 91.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.341 -0.85 . . . . 0.0 111.478 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.24 136.16 27.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.171 1.789 . . . . 0.0 109.712 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 139.88 39.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.276 1.43 . . . . 0.0 112.96 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.66 18.88 1.03 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.24 1.416 . . . . 0.0 113.054 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.91 162.14 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 126.465 1.906 . . . . 0.0 111.886 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.54 156.59 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.744 1.618 . . . . 0.0 111.755 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m -68.91 138.25 54.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.574 1.149 . . . . 0.0 111.974 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.392 2.277 . . . . 0.0 115.212 176.818 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 38.6 m -126.99 -18.02 4.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.611 1.165 . . . . 0.0 114.135 -172.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -73.41 140.27 46.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.51 1.524 . . . . 0.0 113.389 -172.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . 0.276 9.4 ptp180 48.31 26.43 1.09 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 127.744 2.418 . . . . 0.0 116.865 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -78.42 61.57 2.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.821 1.649 . . . . 0.0 113.262 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.15 -29.69 68.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.995 0.918 . . . . 0.0 112.798 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -69.98 -20.47 63.3 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.256 1.423 . . . . 0.0 113.863 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -85.58 -11.66 53.46 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.117 1.367 . . . . 0.0 112.657 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -62.72 158.14 19.3 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.942 -1.099 . . . . 0.0 112.679 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -61.96 148.23 44.41 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.083 0.953 . . . . 0.0 112.28 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -115.59 159.5 21.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.367 1.067 . . . . 0.0 111.789 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -64.52 -39.58 94.04 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -66.84 -36.16 81.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.127 0.971 . . . . 0.0 113.158 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.86 72.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.878 0.763 . . . . 0.0 111.537 173.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.23 -36.65 82.63 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.406 1.082 . . . . 0.0 112.741 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -55.86 -37.28 68.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.222 1.009 . . . . 0.0 112.756 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -92.77 -35.91 13.17 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.33 -21.81 15.87 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -169.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -118.83 -34.79 3.84 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.528 1.531 . . . . 0.0 113.101 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -113.43 -177.81 3.22 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.726 1.61 . . . . 0.0 112.115 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.66 138.27 31.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.649 1.18 . . . . 0.0 112.329 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -123.7 6.67 8.81 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.36 145.01 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.283 -0.886 . . . . 0.0 112.432 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.3 153.17 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 110.687 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 56.11 50.38 13.73 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.22 1.408 . . . . 0.0 112.437 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.459 1.903 . . . . 0.0 112.698 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -78.96 44.59 0.56 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.723 1.609 . . . . 0.0 114.366 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -130.07 8.7 5.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.243 1.817 . . . . 0.0 113.095 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.3 154.11 48.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.022 1.729 . . . . 0.0 111.809 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -86.11 160.7 19.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -69.68 149.42 48.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.746 0.819 . . . . 0.0 111.627 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -79.99 164.22 23.64 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 112.559 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -139.57 -166.17 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.046 1.738 . . . . 0.0 110.586 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -63.03 156.29 25.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.819 -1.175 . . . . 0.0 112.331 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -65.4 142.87 58.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.634 0.774 . . . . 0.0 112.56 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -100.23 154.15 18.69 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.102 1.361 . . . . 0.0 112.02 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -47.94 83.81 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -61.08 -39.64 90.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.488 0.715 . . . . 0.0 112.486 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.43 80.33 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.16 -41.36 28.64 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.993 0.917 . . . . 0.0 112.79 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -67.68 -44.58 77.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.504 1.122 . . . . 0.0 112.427 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -94.23 14.48 20.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.337 1.455 . . . . 0.0 114.126 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.98 -18.76 5.48 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.328 2.251 . . . . 0.0 113.952 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -60.04 -17.81 41.84 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.034 2.134 . . . . 0.0 114.979 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 53.05 74.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.614 1.966 . . . . 0.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.96 137.88 58.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.918 0.887 . . . . 0.0 112.232 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -88.22 -13.11 41.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 46.9 pt -84.65 -6.96 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.14 5.36 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.125 1.37 . . . . 0.0 114.243 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 47.6 p -72.7 155.64 39.77 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.605 1.162 . . . . 0.0 113.207 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.611 1.564 . . . . 0.0 114.108 177.456 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -146.98 162.02 39.61 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.486 1.514 . . . . 0.0 112.434 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -89.09 149.86 23.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.837 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -90.07 8.71 31.32 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -129.57 145.18 51.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.263 1.825 . . . . 0.0 112.055 -172.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -109.93 159.88 16.88 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.692 1.597 . . . . 0.0 111.154 171.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -75.76 -2.97 32.33 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.393 1.077 . . . . 0.0 113.777 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 168.45 19.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.461 2.304 . . . . 0.0 111.41 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -34.6 69.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.515 1.126 . . . . 0.0 113.357 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -143.38 159.92 41.5 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.095 1.758 . . . . 0.0 111.37 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -122.94 162.49 22.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.579 1.151 . . . . 0.0 111.37 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.68 -40.86 93.73 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -59.29 -47.2 86.29 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.221 1.009 . . . . 0.0 111.262 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.6 69.77 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -66.54 -22.77 66.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.453 1.101 . . . . 0.0 113.038 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -90.8 -52.79 4.69 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.272 1.029 . . . . 0.0 111.332 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.69 55.51 3.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.761 2.025 . . . . 0.0 112.008 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 158.84 6.55 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.392 1.877 . . . . 0.0 113.57 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 149.95 49.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.03 0.932 . . . . 0.0 110.584 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.21 27.74 14.03 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.503 1.521 . . . . 0.0 114.469 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.12 135.78 55.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.931 -1.106 . . . . 0.0 111.549 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -84.63 162.88 19.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.623 1.169 . . . . 0.0 113.297 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.97 135.65 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.56 1.544 . . . . 0.0 108.868 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 m -88.2 3.37 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 10.7 t -147.34 162.43 38.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.526 1.53 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.56 1.944 . . . . 0.0 112.595 -178.464 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 12.6 t 62.69 157.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.957 2.103 . . . . 0.0 115.524 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -90.88 -9.21 47.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.357 1.463 . . . . 0.0 112.772 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.97 151.54 47.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.736 1.214 . . . . 0.0 112.52 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 5.07 2.73 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.904 1.682 . . . . 0.0 113.743 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -67.08 154.57 40.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.474 1.91 . . . . 0.0 111.711 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -122.15 140.5 52.48 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.146 1.378 . . . . 0.0 112.45 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.6 m -78.39 146.18 34.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.042 1.337 . . . . 0.0 111.179 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -142.25 153.5 44.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.195 1.398 . . . . 0.0 111.336 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -79.08 134.39 36.75 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.653 1.181 . . . . 0.0 112.586 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -81.57 165.95 20.67 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.831 0.853 . . . . 0.0 111.084 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -41.76 90.41 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -63.51 -40.36 96.86 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.47 1.108 . . . . 0.0 112.325 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.27 93.31 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.206 0.912 . . . . 0.0 112.192 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.94 -37.96 87.38 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.051 0.941 . . . . 0.0 112.749 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -64.61 -45.49 86.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.538 1.135 . . . . 0.0 112.332 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -69.75 -30.17 67.7 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.875 1.27 . . . . 0.0 112.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.14 -35.25 74.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.853 1.261 . . . . 0.0 112.442 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 61.61 -31.76 0.08 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 129.542 3.137 . . . . 0.0 117.733 171.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.76 10.86 2.21 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.361 2.264 . . . . 0.0 115.524 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 50.61 37.47 16.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.693 1.997 . . . . 0.0 115.251 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.05 137.56 58.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.781 0.832 . . . . 0.0 112.372 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 pt -139.16 154.94 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.196 1.798 . . . . 0.0 111.062 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.88 145.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.125 1.37 . . . . 0.0 111.014 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 29.9 p -138.23 155.44 48.65 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 112.072 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.141 1.777 . . . . 0.0 112.527 178.112 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 94.7 p -79.23 169.65 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.827 1.251 . . . . 0.0 112.995 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -66.27 -28.08 68.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.809 0.843 . . . . 0.0 112.795 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 52.23 49.9 19.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.67 1.988 . . . . 0.0 114.057 173.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -128.31 143.76 51.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.737 1.615 . . . . 0.0 112.582 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -83.87 170.14 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.855 1.662 . . . . 0.0 110.963 168.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -66.3 133.57 50.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.101 -0.999 . . . . 0.0 110.775 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -125.81 148.23 49.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.598 1.559 . . . . 0.0 111.081 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -86.46 154.27 21.26 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.498 -0.751 . . . . 0.0 111.453 171.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.96 150.44 48.49 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.976 -0.452 . . . . 0.0 111.657 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -118.65 155.48 30.93 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 111.954 170.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -44.1 97.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -65.08 -35.15 80.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.727 1.149 . . . . 0.0 112.437 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.74 76.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.399 0.679 . . . . 0.0 112.24 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.61 -30.2 68.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 0.0 112.864 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -73.9 -42.39 60.73 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.601 1.16 . . . . 0.0 112.903 174.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.58 7.65 14.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.97 1.308 . . . . 0.0 114.058 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.58 158.89 38.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.547 1.939 . . . . 0.0 110.881 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.14 -29.06 48.57 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 59.15 -9.98 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.037 2.535 . . . . 0.0 116.902 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -148.16 156.14 42.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.173 2.189 . . . . 0.0 109.852 175.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -78.45 50.62 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.44 1.496 . . . . 0.0 113.562 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 tt -144.35 146.65 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.353 1.861 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -111.96 136.96 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.452 1.501 . . . . 0.0 110.152 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -138.71 153.79 48.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.74 1.616 . . . . 0.0 111.767 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.246 1.819 . . . . 0.0 112.546 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -148.63 144.35 27.13 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.044 1.337 . . . . 0.0 111.781 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -76.7 -21.8 54.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.01 0.924 . . . . 0.0 112.536 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -91.49 -43.14 9.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.267 1.427 . . . . 0.0 112.099 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ptt85 45.48 29.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 127.562 2.345 . . . . 0.0 115.64 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 57.5 -16.36 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.84 2.856 . . . . 0.0 117.524 -173.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 58.43 175.46 0.06 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.163 2.585 . . . . 0.0 114.858 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -132.84 162.02 32.64 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.245 1.818 . . . . 0.0 112.486 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -68.15 159.84 30.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.858 1.263 . . . . 0.0 112.529 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -64.26 146.83 53.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.069 0.948 . . . . 0.0 111.276 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -77.39 158.45 30.07 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.407 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -60.2 -47.24 86.8 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -58.82 -42.66 89.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.819 0.736 . . . . 0.0 112.059 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.04 88.7 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.148 0.579 . . . . 0.0 112.241 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.12 -34.59 76.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.76 0.824 . . . . 0.0 113.022 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 44.2 t90 -80.03 -39.41 29.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.902 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -114.8 -23.45 9.17 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -168.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -117.87 -42.1 2.86 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -142.35 81.05 1.73 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.401 1.48 . . . . 0.0 110.703 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.17 140.84 31.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.05 149.85 25.98 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.178 0.991 . . . . 0.0 112.879 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 23.8 t80 63.26 165.23 0.12 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.28 2.232 . . . . 0.0 114.944 -174.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 pt -74.82 -14.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -170.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 13.5 p -148.18 145.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.575 1.55 . . . . 0.0 110.728 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -113.97 1.51 14.72 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.155 1.782 . . . . 0.0 113.132 -178.576 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.2 m -99.56 3.81 45.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.715 1.606 . . . . 0.0 113.752 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -84.06 -1.77 55.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.192 1.797 . . . . 0.0 114.025 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -63.36 148.85 47.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.602 1.561 . . . . 0.0 113.92 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 59.47 161.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 127.764 2.426 . . . . 0.0 115.23 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -75.2 157.64 34.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.44 1.096 . . . . 0.0 112.563 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.52 156.22 46.08 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.936 1.694 . . . . 0.0 111.648 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.6 m -114.67 125.82 54.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.122 1.369 . . . . 0.0 109.767 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . 0.593 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 33.5 t60 55.96 -179.31 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.895 1.678 . . . . 0.0 113.344 -169.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.593 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 7.7 m-30 -63.51 136.32 57.49 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 111.244 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p -74.5 166.78 22.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 112.133 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -46.24 89.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.89 -44.95 96.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.133 0.973 . . . . 0.0 111.602 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.86 97.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.615 0.766 . . . . 0.0 112.577 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -66.42 -35.31 80.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 112.982 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -72.8 -45.69 57.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.115 1.366 . . . . 0.0 113.121 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.19 -28.09 21.41 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 tttm 43.21 -97.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.876 2.47 . . . . 0.0 113.925 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.42 81.18 8.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.417 1.487 . . . . 0.0 109.811 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.05 143.33 56.78 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 110.733 170.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -77.63 -21.6 52.01 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 11.4 t80 54.39 29.12 10.44 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.179 1.792 . . . . 0.0 114.654 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 pt -75.25 153.43 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.587 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.57 152.3 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.352 1.061 . . . . 0.0 112.473 177.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -120.45 -10.76 9.23 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.986 1.315 . . . . 0.0 114.055 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.342 2.257 . . . . 0.0 114.781 -178.712 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.7 m -66.33 149.61 50.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.537 1.135 . . . . 0.0 113.155 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -69.84 155.31 40.74 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.812 0.845 . . . . 0.0 112.385 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -108.92 23.67 14.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.681 1.592 . . . . 0.0 112.34 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -73.64 153.36 40.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.44 2.296 . . . . 0.0 112.503 -173.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.54 146.08 55.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.479 1.111 . . . . 0.0 112.056 169.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.59 165.86 15.77 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.851 2.06 . . . . 0.0 110.689 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -65.06 121.55 14.96 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.844 0.858 . . . . 0.0 111.744 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -8.03 1.21 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -169.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.36 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.256 0.935 . . . . 0.0 111.431 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p -78.78 161.13 27.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -61.93 -45.82 92.03 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -64.45 -37.87 89.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.793 0.837 . . . . 0.0 112.383 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.46 84.83 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.672 0.669 . . . . 0.0 112.183 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -64.17 -37.7 88.39 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.52 -0.738 . . . . 0.0 112.825 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.87 -47.18 81.71 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.771 1.228 . . . . 0.0 112.382 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.28 -13.34 60.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.849 1.66 . . . . 0.0 113.635 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 51.44 34.37 11.94 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.839 2.056 . . . . 0.0 112.521 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 53.4 -70.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.852 2.861 . . . . 0.0 115.095 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -129.14 19.22 5.93 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.639 1.976 . . . . 0.0 112.702 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . 0.265 5.7 t80 66.29 160.22 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.35 2.66 . . . . 0.0 114.958 -169.55 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.91 172.14 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.147 1.779 . . . . 0.0 113.321 -168.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 p -143.35 148.43 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.493 1.517 . . . . 0.0 110.932 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -149.46 160.93 43.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.139 1.376 . . . . 0.0 111.487 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.353 1.861 . . . . 0.0 112.64 -178.374 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 76.2 p -81.47 169.67 16.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.134 1.373 . . . . 0.0 112.717 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.059 1.744 . . . . 0.0 115.048 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -64.9 -4.1 4.13 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.527 1.931 . . . . 0.0 116.126 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -70.1 -29.42 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.776 1.63 . . . . 0.0 112.344 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -100.65 132.74 45.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.079 1.352 . . . . 0.0 110.625 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -142.16 168.8 18.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.532 1.533 . . . . 0.0 111.819 -170.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.3 p -70.53 153.89 42.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.67 1.188 . . . . 0.0 112.941 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . 0.479 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 14.9 t-80 54.19 -162.38 0.13 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.735 1.614 . . . . 0.0 112.807 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.479 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 50.2 m-85 -75.87 130.05 37.94 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.056 -1.027 . . . . 0.0 111.284 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -87.25 162.19 17.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.035 0.934 . . . . 0.0 111.859 171.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -42.4 95.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -35.7 79.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.226 1.01 . . . . 0.0 112.925 173.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.12 72.38 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.562 1.074 . . . . 0.0 113.258 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.75 -30.16 68.71 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.944 0.898 . . . . 0.0 112.403 171.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -74.38 -40.58 61.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.763 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -118.26 65.95 0.76 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.84 2.056 . . . . 0.0 111.953 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.37 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.77 2.028 . . . . 0.0 111.954 175.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 50.5 44.58 27.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.606 1.963 . . . . 0.0 112.973 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -134.52 150.86 50.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.537 1.535 . . . . 0.0 111.372 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -67.03 173.1 3.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.179 1.791 . . . . 0.0 113.665 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -62.41 -25.14 67.79 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.78 -1.2 . . . . 0.0 114.187 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.278 41.5 pt 51.66 -14.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 130.998 3.719 . . . . 0.0 119.17 176.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.91 144.53 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.067 1.347 . . . . 0.0 111.808 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.6 p -78.75 155.78 29.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.858 1.263 . . . . 0.0 113.146 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.22 1.808 . . . . 0.0 112.475 179.244 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.0 m -60.52 132.15 52.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.922 1.289 . . . . 0.0 112.521 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -158.03 173.6 16.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.906 1.283 . . . . 0.0 112.397 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -146.84 148.9 32.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.976 1.31 . . . . 0.0 111.573 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -135.53 146.24 47.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.084 1.754 . . . . 0.0 110.64 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -152.23 147.94 26.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.387 1.075 . . . . 0.0 112.167 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -128.4 162.55 26.86 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.371 1.868 . . . . 0.0 111.366 169.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 34.0 p -132.82 165.16 25.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.062 1.745 . . . . 0.0 111.995 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -69.72 168.24 15.39 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.275 1.03 . . . . 0.0 112.637 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.36 150.65 36.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.977 0.911 . . . . 0.0 113.347 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -110.67 153.73 24.83 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.796 1.239 . . . . 0.0 111.672 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -59.55 -41.25 89.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -75.54 -43.4 48.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.122 0.969 . . . . 0.0 112.433 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.48 82.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.754 0.821 . . . . 0.0 112.856 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.66 -29.94 71.11 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -80.87 -47.09 14.27 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.106 0.962 . . . . 0.0 112.316 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -21.09 63.81 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.622 1.569 . . . . 0.0 113.804 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -40.61 -53.46 2.73 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.551 2.741 . . . . 0.0 114.053 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 50.34 29.11 3.6 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.136 2.174 . . . . 0.0 115.742 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.27 -14.22 38.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.147 0.979 . . . . 0.0 112.886 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.52 158.72 28.49 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.966 1.307 . . . . 0.0 111.753 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.75 137.79 58.35 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.63 152.01 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.384 1.874 . . . . 0.0 110.76 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.94 -14.33 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 52.91 48.54 22.21 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.787 1.635 . . . . 0.0 112.625 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.455 1.902 . . . . 0.0 112.72 -177.365 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 43.9 m -140.5 155.2 46.73 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.13 1.372 . . . . 0.0 111.858 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -137.13 154.93 50.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.476 1.511 . . . . 0.0 111.554 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -76.84 112.27 13.25 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.231 176.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -83.09 158.51 22.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.825 1.25 . . . . 0.0 113.734 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -122.59 4.06 9.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.421 1.488 . . . . 0.0 113.902 174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -70.35 167.25 18.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.836 1.255 . . . . 0.0 113.281 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m 68.24 -61.26 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.719 2.408 . . . . 0.0 115.064 169.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 48.22 -130.79 1.67 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.839 1.656 . . . . 0.0 112.725 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -56.6 139.82 48.71 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 112.41 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t -83.84 155.81 22.76 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.41 -0.806 . . . . 0.0 111.94 173.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -60.65 -42.99 98.09 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -68.92 -39.04 79.87 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.983 0.81 . . . . 0.0 112.665 175.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.11 97.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 111.999 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -64.46 -37.01 86.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -67.22 -39.93 86.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.475 1.11 . . . . 0.0 112.692 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -69.74 -43.01 73.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.876 1.271 . . . . 0.0 112.601 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.72 50.52 0.99 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.888 2.075 . . . . 0.0 112.918 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.71 -16.11 62.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.558 1.543 . . . . 0.0 113.224 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.59 157.49 41.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.858 2.063 . . . . 0.0 110.168 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.64 -26.08 60.59 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -175.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.42 158.35 29.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.184 1.394 . . . . 0.0 114.396 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.5 tp -149.05 152.5 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.933 1.693 . . . . 0.0 110.916 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.27 134.72 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.572 1.549 . . . . 0.0 109.532 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -143.88 140.53 29.82 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.019 1.328 . . . . 0.0 110.541 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.144 1.777 . . . . 0.0 112.604 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.7 m -65.93 151.89 45.73 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.686 1.194 . . . . 0.0 113.379 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -134.1 160.21 38.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.787 1.635 . . . . 0.0 111.454 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.19 152.79 49.24 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.806 1.642 . . . . 0.0 112.25 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -133.94 -1.58 2.99 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 126.66 1.984 . . . . 0.0 113.025 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -68.88 159.97 31.57 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.698 1.999 . . . . 0.0 112.694 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 51.5 68.85 0.73 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.983 2.113 . . . . 0.0 113.341 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -77.17 -17.84 58.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.916 1.287 . . . . 0.0 113.559 172.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 7' ' ' HIS . . . . . 0.53 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 35.3 t-80 -82.31 -170.31 2.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.773 1.629 . . . . 0.0 111.898 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 8' ' ' PHE . . . . . 0.53 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 6.5 m-30 -55.76 143.41 31.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.21 1.404 . . . . 0.0 113.356 -169.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t -79.95 163.39 24.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.77 -0.581 . . . . 0.0 112.443 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -67.27 -37.44 83.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -72.7 -25.89 61.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.53 1.132 . . . . 0.0 112.63 174.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.77 44.09 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.794 0.725 . . . . 0.0 110.828 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -60.87 -24.96 66.34 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.073 1.349 . . . . 0.0 114.237 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -59.2 -26.75 65.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.003 1.321 . . . . 0.0 113.88 169.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.04 -9.82 7.67 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -56.39 146.33 24.63 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.929 1.692 . . . . 0.0 112.249 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.26 129.98 34.88 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.838 0.855 . . . . 0.0 110.656 169.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -111.21 156.73 21.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.522 1.529 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.94 -0.45 54.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.653 1.181 . . . . 0.0 113.892 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -137.06 160.33 39.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.901 1.68 . . . . 0.0 111.822 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.75 157.85 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.018 1.327 . . . . 0.0 113.314 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -73.3 134.61 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.968 0.907 . . . . 0.0 109.765 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 36.8 p -97.01 -0.37 47.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.177 1.791 . . . . 0.0 113.918 179.423 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 121.095 0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.018 0.437 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 121.063 0.458 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.886 0.374 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.62 0.248 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.124 0.488 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.638 0.256 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.99 0.424 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.124 0.487 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.029 0.442 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 121.214 0.53 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.369 0.604 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.985 0.421 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.027 0.441 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 4.5 t 59.23 -179.55 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.022 1.729 . . . . 0.0 114.498 -173.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.81 141.13 40.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.935 1.294 . . . . 0.0 112.037 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -90.83 -20.78 21.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 113.774 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -61.19 129.29 40.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.484 1.514 . . . . 0.0 111.984 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.61 165.76 26.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.593 1.957 . . . . 0.0 111.303 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -124.27 147.67 47.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.924 1.69 . . . . 0.0 111.772 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -141.29 156.53 45.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.184 1.394 . . . . 0.0 112.615 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -134.78 165.35 25.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.505 1.522 . . . . 0.0 110.415 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.5 119.27 17.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -168.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -78.69 164.97 24.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.373 1.069 . . . . 0.0 111.915 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -64.22 -38.97 92.96 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.69 -41.1 84.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.648 1.179 . . . . 0.0 111.903 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.97 99.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.708 0.686 . . . . 0.0 111.986 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.695 1.198 . . . . 0.0 113.397 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -68.61 -41.84 78.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.869 0.868 . . . . 0.0 112.457 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -76.74 -37.76 55.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 0.0 114.169 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -72.46 158.24 36.12 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -13.15 60.55 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -69.04 155.32 40.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.233 1.413 . . . . 0.0 113.043 -169.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -109.4 151.18 26.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.709 1.604 . . . . 0.0 113.403 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 54.88 26.86 8.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.305 1.842 . . . . 0.0 115.811 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -9.07 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.061 1.344 . . . . 0.0 114.531 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -129.34 134.34 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.053 1.741 . . . . 0.0 109.053 171.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -73.98 138.21 44.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.388 1.075 . . . . 0.0 111.873 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.103 1.761 . . . . 0.0 112.549 177.348 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.4 m -67.67 149.06 50.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.986 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.98 -13.69 58.65 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -75.73 158.17 32.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.9 1.28 . . . . 0.0 113.238 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -72.96 167.76 20.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.85 1.26 . . . . 0.0 112.551 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -64.84 144.77 57.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.852 0.861 . . . . 0.0 112.787 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -77.75 -23.89 49.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.722 1.209 . . . . 0.0 113.762 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.87 142.13 58.02 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 113.377 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -103.47 -49.71 3.63 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.833 1.253 . . . . 0.0 112.911 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -61.83 146.05 50.77 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.227 1.011 . . . . 0.0 112.736 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -104.57 163.96 12.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.339 1.055 . . . . 0.0 112.078 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.67 -45.46 94.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -60.96 -41.79 97.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.272 1.029 . . . . 0.0 112.243 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.11 94.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.112 0.869 . . . . 0.0 112.225 176.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 -27.26 64.63 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.276 1.031 . . . . 0.0 113.616 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -78.7 -42.78 27.51 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 112.697 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -83.53 -37.45 23.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.031 1.332 . . . . 0.0 113.463 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 60.67 -58.7 0.08 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 129.198 2.999 . . . . 0.0 117.308 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER -85.02 17.36 2.95 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -171.012 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.23 159.04 24.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.44 1.096 . . . . 0.0 113.348 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -118.15 158.32 25.29 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.557 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -82.38 -3.38 55.43 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mm -73.29 128.26 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.503 1.121 . . . . 0.0 110.738 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.93 4.69 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.499 1.519 . . . . 0.0 113.714 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -86.51 -7.14 58.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.418 1.487 . . . . 0.0 114.493 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 112.665 178.856 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 9.8 t -74.37 155.82 37.72 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.982 0.913 . . . . 0.0 112.818 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -135.34 137.53 42.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.886 1.674 . . . . 0.0 109.996 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 59.71 -14.15 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.031 2.532 . . . . 0.0 116.883 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.45 163.65 12.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.834 2.054 . . . . 0.0 110.313 173.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 52.0 -144.45 0.6 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.872 1.269 . . . . 0.0 111.609 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 56.22 20.9 4.85 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 126.447 1.899 . . . . 0.0 115.025 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 20.3 p -67.6 154.93 40.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.219 1.008 . . . . 0.0 112.104 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 t60 63.16 160.59 0.09 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.478 1.911 . . . . 0.0 114.354 -169.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -68.61 152.41 45.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p -146.01 167.76 22.57 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.028 2.531 . . . . 0.0 108.662 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -58.88 -42.88 90.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -70.44 -38.85 74.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.838 1.255 . . . . 0.0 112.745 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.72 99.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.248 0.619 . . . . 0.0 112.003 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -72.39 -26.73 62.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.428 1.091 . . . . 0.0 113.745 176.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.8 -44.67 66.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.861 0.864 . . . . 0.0 112.008 169.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -74.86 -30.48 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.673 1.189 . . . . 0.0 113.275 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 65.6 pttt 45.85 30.84 0.93 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.497 2.719 . . . . 0.0 116.503 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 53.71 23.61 3.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.789 2.036 . . . . 0.0 114.628 -171.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -95.36 -13.8 24.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.03 1.732 . . . . 0.0 111.757 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 64.51 171.76 0.19 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.703 2.401 . . . . 0.0 115.256 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -140.98 158.7 43.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.34 1.456 . . . . 0.0 111.526 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.0 pt -67.77 152.23 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.805 1.242 . . . . 0.0 113.503 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 11.4 p -150.66 151.16 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.575 1.55 . . . . 0.0 110.796 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -64.52 138.49 58.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.721 1.208 . . . . 0.0 111.709 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.254 1.422 . . . . 0.0 114.484 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 15.4 m -79.97 25.23 0.37 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.15 39.67 30.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.084 1.754 . . . . 0.0 114.035 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -95.91 152.92 18.06 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.712 1.605 . . . . 0.0 111.65 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? 51.17 47.3 25.11 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.882 1.673 . . . . 0.0 113.343 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -64.28 -30.51 71.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.042 0.937 . . . . 0.0 112.4 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -146.62 167.97 22.45 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.679 1.992 . . . . 0.0 111.57 169.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m 63.47 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.194 2.198 . . . . 0.0 113.449 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.02 164.54 17.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 0.0 113.043 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 64.08 154.16 0.05 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.352 2.661 . . . . 0.0 114.563 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -79.07 161.37 26.6 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.984 -1.072 . . . . 0.0 111.779 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.12 -49.1 79.17 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.13 -44.39 92.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.99 . . . . 0.0 111.786 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.57 88.04 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.504 0.593 . . . . 0.0 112.412 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.15 -31.02 70.28 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.301 1.04 . . . . 0.0 113.26 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -78.33 -45.76 21.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.064 1.345 . . . . 0.0 112.854 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -77.92 -41.12 37.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.595 1.158 . . . . 0.0 113.342 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 56.5 -175.9 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.604 1.962 . . . . 0.0 114.342 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -70.37 142.66 52.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.46 1.504 . . . . 0.0 111.184 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -108.15 149.4 28.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.875 1.67 . . . . 0.0 111.833 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.61 2.54 2.69 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 113.281 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.53 149.29 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.702 -1.249 . . . . 0.0 112.726 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.2 tp -78.31 -13.84 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.109 1.363 . . . . 0.0 113.897 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t 57.96 63.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.943 1.697 . . . . 0.0 111.536 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.6 m -59.01 138.72 57.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.285 1.434 . . . . 0.0 112.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.176 1.39 . . . . 0.0 113.878 178.7 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.2 m -67.02 150.95 48.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.581 1.153 . . . . 0.0 113.281 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -134.53 158.86 42.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.788 1.635 . . . . 0.0 111.349 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -129.24 147.14 51.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.65 1.58 . . . . 0.0 111.621 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -142.5 156.89 45.19 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.384 1.873 . . . . 0.0 111.712 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -75.64 156.28 35.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.108 0.963 . . . . 0.0 111.353 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -128.12 126.93 42.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.899 1.28 . . . . 0.0 112.257 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 30.1 p 48.43 34.59 4.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.247 2.219 . . . . 0.0 115.963 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -115.26 158.31 22.5 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.796 1.638 . . . . 0.0 111.898 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.06 156.58 38.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t -130.95 166.79 20.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -66.27 -31.46 72.27 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -90.05 -27.48 19.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.956 0.902 . . . . 0.0 113.176 174.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.28 93.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.454 0.701 . . . . 0.0 112.004 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -67.25 -29.61 69.29 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.373 1.069 . . . . 0.0 113.663 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -72.85 -46.45 52.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.558 1.143 . . . . 0.0 112.395 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -90.64 -29.52 17.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 59.66 162.79 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 128.651 2.78 . . . . 0.0 115.66 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -121.27 153.24 37.93 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.255 1.822 . . . . 0.0 110.728 172.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.7 119.25 23.6 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.623 0.769 . . . . 0.0 111.385 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.36 -17.52 58.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -115.08 36.18 4.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.036 1.734 . . . . 0.0 111.863 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -62.24 -24.04 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.782 1.233 . . . . 0.0 113.009 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.47 148.49 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.3 1.84 . . . . 0.0 110.298 172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.8 m -74.68 -28.97 61.06 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.489 1.116 . . . . 0.0 113.335 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.65 1.58 . . . . 0.0 114.322 -176.249 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m 55.21 33.63 20.99 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -139.72 157.7 45.33 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.131 1.772 . . . . 0.0 111.477 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -89.44 8.02 32.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.625 1.57 . . . . 0.0 113.732 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.37 36.36 26.93 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.759 2.024 . . . . 0.0 112.249 -173.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -82.8 152.2 25.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.268 1.827 . . . . 0.0 112.936 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 46.42 50.29 12.6 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.499 1.92 . . . . 0.0 113.987 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -65.13 -38.34 90.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 0.0 113.704 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 7' ' ' HIS . . . . . 0.505 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 1.9 t60 52.33 -162.05 0.09 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.62 1.968 . . . . 0.0 114.413 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 90.1 m-85 -129.6 158.43 39.31 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.746 2.018 . . . . 0.0 110.669 170.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t -136.91 161.66 35.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.565 1.146 . . . . 0.0 111.537 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -69.15 -39.83 78.58 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -66.58 -38.6 87.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.206 1.002 . . . . 0.0 112.056 174.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.74 94.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.978 0.808 . . . . 0.0 112.156 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.33 -41.69 98.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 0.0 112.409 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -62.15 -47.33 85.01 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.712 0.805 . . . . 0.0 111.969 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -60.27 -36.06 76.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.508 1.123 . . . . 0.0 112.493 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.45 -34.66 70.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.896 1.278 . . . . 0.0 112.939 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -77.47 -33.81 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.94 1.296 . . . . 0.0 113.342 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.39 161.57 30.65 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.721 1.209 . . . . 0.0 112.857 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.12 146.88 37.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 110.848 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -83.06 -18.18 40.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.444 1.098 . . . . 0.0 113.909 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.285 41.1 pt 48.28 35.02 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 127.703 2.401 . . . . 0.0 115.5 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.86 -36.91 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.372 1.069 . . . . 0.0 111.621 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 23.0 p -89.54 149.77 22.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.506 1.523 . . . . 0.0 112.509 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.136 1.774 . . . . 0.0 112.594 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -69.31 148.03 50.3 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.368 1.067 . . . . 0.0 113.212 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.53 151.06 45.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.715 0.806 . . . . 0.0 111.855 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.64 26.3 4.04 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.644 1.577 . . . . 0.0 113.945 -177.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 163.13 28.26 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.062 1.745 . . . . 0.0 111.991 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -133.17 145.99 51.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.256 1.422 . . . . 0.0 111.284 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -79.21 137.25 37.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.145 1.378 . . . . 0.0 111.722 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -131.76 135.25 46.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.723 1.609 . . . . 0.0 109.802 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -112.93 12.75 19.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.698 1.599 . . . . 0.0 114.105 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -101.09 165.28 11.39 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.952 1.701 . . . . 0.0 111.332 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -123.1 152.16 41.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.995 1.318 . . . . 0.0 111.069 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.92 -45.97 82.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -70.94 -43.52 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.391 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.53 -46.65 87.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.224 0.61 . . . . 0.0 112.313 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.35 -21.56 60.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.499 1.119 . . . . 0.0 113.318 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -74.11 -49.39 24.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.326 1.05 . . . . 0.0 111.579 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -76.68 -34.91 58.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.185 0.994 . . . . 0.0 113.607 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -136.44 166.82 22.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.59 1.956 . . . . 0.0 111.696 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -91.5 155.99 18.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.314 1.046 . . . . 0.0 110.918 169.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.22 -4.95 59.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -72.63 138.34 46.67 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.234 -0.916 . . . . 0.0 111.174 170.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -142.88 168.17 20.34 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.738 1.215 . . . . 0.0 112.841 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -141.32 153.92 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.839 1.656 . . . . 0.0 110.453 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.78 -11.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 31.6 p -80.82 150.59 29.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.972 1.309 . . . . 0.0 113.059 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.172 1.389 . . . . 0.0 113.537 177.196 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -78.42 49.22 0.83 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.867 1.667 . . . . 0.0 114.181 -173.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -77.54 138.52 39.23 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.09 1.356 . . . . 0.0 111.544 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 55.89 176.57 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.627 2.371 . . . . 0.0 114.632 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.49 155.86 40.1 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.255 1.422 . . . . 0.0 111.812 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.72 -28.42 68.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.368 1.067 . . . . 0.0 113.547 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.95 172.35 13.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.692 1.597 . . . . 0.0 111.681 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 41.9 p -72.08 149.25 45.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.839 0.856 . . . . 0.0 112.712 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -89.45 170.38 10.57 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.356 1.462 . . . . 0.0 111.584 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -58.02 148.91 24.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t -136.96 162.1 34.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.441 1.496 . . . . 0.0 110.692 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -59.55 -42.23 91.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -62.76 -43.87 97.68 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.982 0.913 . . . . 0.0 112.266 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.43 77.98 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.359 0.664 . . . . 0.0 112.734 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.84 -45.1 45.51 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.433 1.093 . . . . 0.0 112.521 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -68.53 -43.16 77.32 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.172 1.389 . . . . 0.0 113.014 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -4.1 58.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.823 1.249 . . . . 0.0 113.505 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 58.51 163.5 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.274 2.63 . . . . 0.0 114.586 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.53 -38.64 91.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.341 -0.85 . . . . 0.0 111.478 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.24 136.16 27.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.171 1.789 . . . . 0.0 109.712 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 139.88 39.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.276 1.43 . . . . 0.0 112.96 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.66 18.88 1.03 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.24 1.416 . . . . 0.0 113.054 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.91 162.14 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 126.465 1.906 . . . . 0.0 111.886 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.54 156.59 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.744 1.618 . . . . 0.0 111.755 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m -68.91 138.25 54.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.574 1.149 . . . . 0.0 111.974 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.392 2.277 . . . . 0.0 115.212 176.818 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 38.6 m -126.99 -18.02 4.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.611 1.165 . . . . 0.0 114.135 -172.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -73.41 140.27 46.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.51 1.524 . . . . 0.0 113.389 -172.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . 0.276 9.4 ptp180 48.31 26.43 1.09 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 127.744 2.418 . . . . 0.0 116.865 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -78.42 61.57 2.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.821 1.649 . . . . 0.0 113.262 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.15 -29.69 68.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.995 0.918 . . . . 0.0 112.798 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -69.98 -20.47 63.3 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.256 1.423 . . . . 0.0 113.863 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -85.58 -11.66 53.46 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.117 1.367 . . . . 0.0 112.657 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -62.72 158.14 19.3 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.942 -1.099 . . . . 0.0 112.679 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -61.96 148.23 44.41 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.083 0.953 . . . . 0.0 112.28 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -115.59 159.5 21.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.367 1.067 . . . . 0.0 111.789 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -64.52 -39.58 94.04 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -66.84 -36.16 81.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.127 0.971 . . . . 0.0 113.158 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.86 72.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.878 0.763 . . . . 0.0 111.537 173.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.23 -36.65 82.63 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.406 1.082 . . . . 0.0 112.741 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -55.86 -37.28 68.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.222 1.009 . . . . 0.0 112.756 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -92.77 -35.91 13.17 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.33 -21.81 15.87 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -169.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -118.83 -34.79 3.84 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.528 1.531 . . . . 0.0 113.101 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -113.43 -177.81 3.22 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.726 1.61 . . . . 0.0 112.115 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.66 138.27 31.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.649 1.18 . . . . 0.0 112.329 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -123.7 6.67 8.81 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.36 145.01 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.283 -0.886 . . . . 0.0 112.432 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.3 153.17 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 110.687 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 56.11 50.38 13.73 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.22 1.408 . . . . 0.0 112.437 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.459 1.903 . . . . 0.0 112.698 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -78.96 44.59 0.56 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.723 1.609 . . . . 0.0 114.366 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -130.07 8.7 5.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.243 1.817 . . . . 0.0 113.095 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.3 154.11 48.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.022 1.729 . . . . 0.0 111.809 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -86.11 160.7 19.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -69.68 149.42 48.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.746 0.819 . . . . 0.0 111.627 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -79.99 164.22 23.64 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 112.559 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -139.57 -166.17 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.046 1.738 . . . . 0.0 110.586 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -63.03 156.29 25.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.819 -1.175 . . . . 0.0 112.331 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -65.4 142.87 58.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.634 0.774 . . . . 0.0 112.56 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -100.23 154.15 18.69 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.102 1.361 . . . . 0.0 112.02 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -47.94 83.81 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -61.08 -39.64 90.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.488 0.715 . . . . 0.0 112.486 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.43 80.33 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.16 -41.36 28.64 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.993 0.917 . . . . 0.0 112.79 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -67.68 -44.58 77.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.504 1.122 . . . . 0.0 112.427 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -94.23 14.48 20.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.337 1.455 . . . . 0.0 114.126 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.98 -18.76 5.48 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.328 2.251 . . . . 0.0 113.952 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -60.04 -17.81 41.84 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.034 2.134 . . . . 0.0 114.979 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 53.05 74.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.614 1.966 . . . . 0.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.96 137.88 58.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.918 0.887 . . . . 0.0 112.232 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -88.22 -13.11 41.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 46.9 pt -84.65 -6.96 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.14 5.36 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.125 1.37 . . . . 0.0 114.243 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 47.6 p -72.7 155.64 39.77 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.605 1.162 . . . . 0.0 113.207 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.611 1.564 . . . . 0.0 114.108 177.456 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -146.98 162.02 39.61 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.486 1.514 . . . . 0.0 112.434 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -89.09 149.86 23.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.837 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -90.07 8.71 31.32 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -129.57 145.18 51.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.263 1.825 . . . . 0.0 112.055 -172.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -109.93 159.88 16.88 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.692 1.597 . . . . 0.0 111.154 171.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -75.76 -2.97 32.33 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.393 1.077 . . . . 0.0 113.777 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 168.45 19.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.461 2.304 . . . . 0.0 111.41 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -34.6 69.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.515 1.126 . . . . 0.0 113.357 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -143.38 159.92 41.5 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.095 1.758 . . . . 0.0 111.37 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -122.94 162.49 22.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.579 1.151 . . . . 0.0 111.37 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.68 -40.86 93.73 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -59.29 -47.2 86.29 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.221 1.009 . . . . 0.0 111.262 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.6 69.77 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -66.54 -22.77 66.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.453 1.101 . . . . 0.0 113.038 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -90.8 -52.79 4.69 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.272 1.029 . . . . 0.0 111.332 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.69 55.51 3.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.761 2.025 . . . . 0.0 112.008 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 158.84 6.55 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.392 1.877 . . . . 0.0 113.57 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 149.95 49.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.03 0.932 . . . . 0.0 110.584 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.21 27.74 14.03 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.503 1.521 . . . . 0.0 114.469 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.12 135.78 55.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.931 -1.106 . . . . 0.0 111.549 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -84.63 162.88 19.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.623 1.169 . . . . 0.0 113.297 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.97 135.65 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.56 1.544 . . . . 0.0 108.868 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 m -88.2 3.37 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 10.7 t -147.34 162.43 38.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.526 1.53 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.56 1.944 . . . . 0.0 112.595 -178.464 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 12.6 t 62.69 157.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.957 2.103 . . . . 0.0 115.524 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -90.88 -9.21 47.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.357 1.463 . . . . 0.0 112.772 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.97 151.54 47.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.736 1.214 . . . . 0.0 112.52 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 5.07 2.73 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.904 1.682 . . . . 0.0 113.743 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -67.08 154.57 40.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.474 1.91 . . . . 0.0 111.711 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -122.15 140.5 52.48 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.146 1.378 . . . . 0.0 112.45 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.6 m -78.39 146.18 34.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.042 1.337 . . . . 0.0 111.179 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -142.25 153.5 44.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.195 1.398 . . . . 0.0 111.336 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -79.08 134.39 36.75 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.653 1.181 . . . . 0.0 112.586 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -81.57 165.95 20.67 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.831 0.853 . . . . 0.0 111.084 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -41.76 90.41 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -63.51 -40.36 96.86 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.47 1.108 . . . . 0.0 112.325 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.27 93.31 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.206 0.912 . . . . 0.0 112.192 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.94 -37.96 87.38 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.051 0.941 . . . . 0.0 112.749 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -64.61 -45.49 86.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.538 1.135 . . . . 0.0 112.332 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -69.75 -30.17 67.7 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.875 1.27 . . . . 0.0 112.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.14 -35.25 74.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.853 1.261 . . . . 0.0 112.442 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 61.61 -31.76 0.08 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 129.542 3.137 . . . . 0.0 117.733 171.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.76 10.86 2.21 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.361 2.264 . . . . 0.0 115.524 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 50.61 37.47 16.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.693 1.997 . . . . 0.0 115.251 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.05 137.56 58.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.781 0.832 . . . . 0.0 112.372 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 pt -139.16 154.94 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.196 1.798 . . . . 0.0 111.062 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.88 145.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.125 1.37 . . . . 0.0 111.014 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 29.9 p -138.23 155.44 48.65 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 112.072 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.141 1.777 . . . . 0.0 112.527 178.112 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 94.7 p -79.23 169.65 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.827 1.251 . . . . 0.0 112.995 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -66.27 -28.08 68.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.809 0.843 . . . . 0.0 112.795 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 52.23 49.9 19.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.67 1.988 . . . . 0.0 114.057 173.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -128.31 143.76 51.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.737 1.615 . . . . 0.0 112.582 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -83.87 170.14 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.855 1.662 . . . . 0.0 110.963 168.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -66.3 133.57 50.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.101 -0.999 . . . . 0.0 110.775 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -125.81 148.23 49.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.598 1.559 . . . . 0.0 111.081 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -86.46 154.27 21.26 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.498 -0.751 . . . . 0.0 111.453 171.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.96 150.44 48.49 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.976 -0.452 . . . . 0.0 111.657 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -118.65 155.48 30.93 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 111.954 170.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -44.1 97.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -65.08 -35.15 80.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.727 1.149 . . . . 0.0 112.437 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.74 76.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.399 0.679 . . . . 0.0 112.24 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.61 -30.2 68.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 0.0 112.864 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -73.9 -42.39 60.73 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.601 1.16 . . . . 0.0 112.903 174.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.58 7.65 14.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.97 1.308 . . . . 0.0 114.058 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.58 158.89 38.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.547 1.939 . . . . 0.0 110.881 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.14 -29.06 48.57 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 59.15 -9.98 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.037 2.535 . . . . 0.0 116.902 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -148.16 156.14 42.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.173 2.189 . . . . 0.0 109.852 175.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -78.45 50.62 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.44 1.496 . . . . 0.0 113.562 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 tt -144.35 146.65 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.353 1.861 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -111.96 136.96 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.452 1.501 . . . . 0.0 110.152 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -138.71 153.79 48.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.74 1.616 . . . . 0.0 111.767 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.246 1.819 . . . . 0.0 112.546 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -148.63 144.35 27.13 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.044 1.337 . . . . 0.0 111.781 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -76.7 -21.8 54.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.01 0.924 . . . . 0.0 112.536 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -91.49 -43.14 9.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.267 1.427 . . . . 0.0 112.099 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ptt85 45.48 29.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 127.562 2.345 . . . . 0.0 115.64 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 57.5 -16.36 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.84 2.856 . . . . 0.0 117.524 -173.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 58.43 175.46 0.06 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.163 2.585 . . . . 0.0 114.858 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -132.84 162.02 32.64 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.245 1.818 . . . . 0.0 112.486 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -68.15 159.84 30.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.858 1.263 . . . . 0.0 112.529 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -64.26 146.83 53.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.069 0.948 . . . . 0.0 111.276 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -77.39 158.45 30.07 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.407 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -60.2 -47.24 86.8 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -58.82 -42.66 89.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.819 0.736 . . . . 0.0 112.059 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.04 88.7 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.148 0.579 . . . . 0.0 112.241 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.12 -34.59 76.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.76 0.824 . . . . 0.0 113.022 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 44.2 t90 -80.03 -39.41 29.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.902 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -114.8 -23.45 9.17 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -168.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -117.87 -42.1 2.86 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -142.35 81.05 1.73 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.401 1.48 . . . . 0.0 110.703 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.17 140.84 31.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.05 149.85 25.98 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.178 0.991 . . . . 0.0 112.879 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 23.8 t80 63.26 165.23 0.12 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.28 2.232 . . . . 0.0 114.944 -174.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 pt -74.82 -14.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -170.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 13.5 p -148.18 145.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.575 1.55 . . . . 0.0 110.728 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -113.97 1.51 14.72 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.155 1.782 . . . . 0.0 113.132 -178.576 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.2 m -99.56 3.81 45.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.715 1.606 . . . . 0.0 113.752 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -84.06 -1.77 55.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.192 1.797 . . . . 0.0 114.025 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -63.36 148.85 47.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.602 1.561 . . . . 0.0 113.92 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 59.47 161.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 127.764 2.426 . . . . 0.0 115.23 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -75.2 157.64 34.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.44 1.096 . . . . 0.0 112.563 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.52 156.22 46.08 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.936 1.694 . . . . 0.0 111.648 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.6 m -114.67 125.82 54.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.122 1.369 . . . . 0.0 109.767 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 7' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 33.5 t60 55.96 -179.31 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.895 1.678 . . . . 0.0 113.344 -169.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.527 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 7.7 m-30 -63.51 136.32 57.49 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 111.244 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p -74.5 166.78 22.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 112.133 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -46.24 89.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.89 -44.95 96.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.133 0.973 . . . . 0.0 111.602 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.86 97.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.615 0.766 . . . . 0.0 112.577 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -66.42 -35.31 80.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 112.982 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -72.8 -45.69 57.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.115 1.366 . . . . 0.0 113.121 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.19 -28.09 21.41 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 tttm 43.21 -97.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.876 2.47 . . . . 0.0 113.925 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.42 81.18 8.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.417 1.487 . . . . 0.0 109.811 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.05 143.33 56.78 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 110.733 170.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -77.63 -21.6 52.01 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 11.4 t80 54.39 29.12 10.44 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.179 1.792 . . . . 0.0 114.654 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 pt -75.25 153.43 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.587 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.57 152.3 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.352 1.061 . . . . 0.0 112.473 177.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -120.45 -10.76 9.23 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.986 1.315 . . . . 0.0 114.055 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.342 2.257 . . . . 0.0 114.781 -178.712 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.7 m -66.33 149.61 50.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.537 1.135 . . . . 0.0 113.155 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -69.84 155.31 40.74 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.812 0.845 . . . . 0.0 112.385 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -108.92 23.67 14.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.681 1.592 . . . . 0.0 112.34 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -73.64 153.36 40.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.44 2.296 . . . . 0.0 112.503 -173.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.54 146.08 55.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.479 1.111 . . . . 0.0 112.056 169.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.59 165.86 15.77 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.851 2.06 . . . . 0.0 110.689 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -65.06 121.55 14.96 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.844 0.858 . . . . 0.0 111.744 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -8.03 1.21 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -169.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.36 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.256 0.935 . . . . 0.0 111.431 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p -78.78 161.13 27.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -61.93 -45.82 92.03 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -64.45 -37.87 89.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.793 0.837 . . . . 0.0 112.383 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.46 84.83 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.672 0.669 . . . . 0.0 112.183 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -64.17 -37.7 88.39 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.52 -0.738 . . . . 0.0 112.825 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.87 -47.18 81.71 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.771 1.228 . . . . 0.0 112.382 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.28 -13.34 60.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.849 1.66 . . . . 0.0 113.635 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 51.44 34.37 11.94 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.839 2.056 . . . . 0.0 112.521 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 53.4 -70.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.852 2.861 . . . . 0.0 115.095 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -129.14 19.22 5.93 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.639 1.976 . . . . 0.0 112.702 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . 0.265 5.7 t80 66.29 160.22 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.35 2.66 . . . . 0.0 114.958 -169.55 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.91 172.14 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.147 1.779 . . . . 0.0 113.321 -168.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 p -143.35 148.43 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.493 1.517 . . . . 0.0 110.932 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -149.46 160.93 43.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.139 1.376 . . . . 0.0 111.487 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.353 1.861 . . . . 0.0 112.64 -178.374 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 76.2 p -81.47 169.67 16.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.134 1.373 . . . . 0.0 112.717 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.059 1.744 . . . . 0.0 115.048 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -64.9 -4.1 4.13 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.527 1.931 . . . . 0.0 116.126 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -70.1 -29.42 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.776 1.63 . . . . 0.0 112.344 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -100.65 132.74 45.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.079 1.352 . . . . 0.0 110.625 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -142.16 168.8 18.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.532 1.533 . . . . 0.0 111.819 -170.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.3 p -70.53 153.89 42.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.67 1.188 . . . . 0.0 112.941 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 7' ' ' HIS . . . . . 0.42 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 14.9 t-80 54.19 -162.38 0.13 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.735 1.614 . . . . 0.0 112.807 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.42 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 50.2 m-85 -75.87 130.05 37.94 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.056 -1.027 . . . . 0.0 111.284 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -87.25 162.19 17.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.035 0.934 . . . . 0.0 111.859 171.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -42.4 95.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -35.7 79.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.226 1.01 . . . . 0.0 112.925 173.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.12 72.38 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.562 1.074 . . . . 0.0 113.258 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.75 -30.16 68.71 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.944 0.898 . . . . 0.0 112.403 171.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -74.38 -40.58 61.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.763 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -118.26 65.95 0.76 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.84 2.056 . . . . 0.0 111.953 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.37 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.77 2.028 . . . . 0.0 111.954 175.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 50.5 44.58 27.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.606 1.963 . . . . 0.0 112.973 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -134.52 150.86 50.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.537 1.535 . . . . 0.0 111.372 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -67.03 173.1 3.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.179 1.791 . . . . 0.0 113.665 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -62.41 -25.14 67.79 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.78 -1.2 . . . . 0.0 114.187 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.278 41.5 pt 51.66 -14.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 130.998 3.719 . . . . 0.0 119.17 176.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.91 144.53 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.067 1.347 . . . . 0.0 111.808 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.6 p -78.75 155.78 29.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.858 1.263 . . . . 0.0 113.146 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.22 1.808 . . . . 0.0 112.475 179.244 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.0 m -60.52 132.15 52.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.922 1.289 . . . . 0.0 112.521 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -158.03 173.6 16.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.906 1.283 . . . . 0.0 112.397 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -146.84 148.9 32.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.976 1.31 . . . . 0.0 111.573 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -135.53 146.24 47.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.084 1.754 . . . . 0.0 110.64 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -152.23 147.94 26.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.387 1.075 . . . . 0.0 112.167 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -128.4 162.55 26.86 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.371 1.868 . . . . 0.0 111.366 169.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 34.0 p -132.82 165.16 25.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.062 1.745 . . . . 0.0 111.995 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -69.72 168.24 15.39 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.275 1.03 . . . . 0.0 112.637 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.36 150.65 36.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.977 0.911 . . . . 0.0 113.347 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -110.67 153.73 24.83 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.796 1.239 . . . . 0.0 111.672 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -59.55 -41.25 89.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -75.54 -43.4 48.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.122 0.969 . . . . 0.0 112.433 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.48 82.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.754 0.821 . . . . 0.0 112.856 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.66 -29.94 71.11 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -80.87 -47.09 14.27 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.106 0.962 . . . . 0.0 112.316 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -21.09 63.81 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.622 1.569 . . . . 0.0 113.804 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -40.61 -53.46 2.73 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.551 2.741 . . . . 0.0 114.053 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 50.34 29.11 3.6 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.136 2.174 . . . . 0.0 115.742 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.27 -14.22 38.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.147 0.979 . . . . 0.0 112.886 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.52 158.72 28.49 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.966 1.307 . . . . 0.0 111.753 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.75 137.79 58.35 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.63 152.01 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.384 1.874 . . . . 0.0 110.76 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.94 -14.33 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 52.91 48.54 22.21 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.787 1.635 . . . . 0.0 112.625 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.455 1.902 . . . . 0.0 112.72 -177.365 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 43.9 m -140.5 155.2 46.73 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.13 1.372 . . . . 0.0 111.858 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -137.13 154.93 50.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.476 1.511 . . . . 0.0 111.554 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -76.84 112.27 13.25 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.231 176.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -83.09 158.51 22.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.825 1.25 . . . . 0.0 113.734 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -122.59 4.06 9.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.421 1.488 . . . . 0.0 113.902 174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -70.35 167.25 18.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.836 1.255 . . . . 0.0 113.281 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m 68.24 -61.26 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.719 2.408 . . . . 0.0 115.064 169.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 48.22 -130.79 1.67 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.839 1.656 . . . . 0.0 112.725 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -56.6 139.82 48.71 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 112.41 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t -83.84 155.81 22.76 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.41 -0.806 . . . . 0.0 111.94 173.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -60.65 -42.99 98.09 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -68.92 -39.04 79.87 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.983 0.81 . . . . 0.0 112.665 175.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.11 97.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 111.999 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -64.46 -37.01 86.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -67.22 -39.93 86.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.475 1.11 . . . . 0.0 112.692 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -69.74 -43.01 73.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.876 1.271 . . . . 0.0 112.601 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.72 50.52 0.99 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.888 2.075 . . . . 0.0 112.918 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.71 -16.11 62.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.558 1.543 . . . . 0.0 113.224 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.59 157.49 41.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.858 2.063 . . . . 0.0 110.168 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.64 -26.08 60.59 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -175.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.42 158.35 29.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.184 1.394 . . . . 0.0 114.396 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.5 tp -149.05 152.5 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.933 1.693 . . . . 0.0 110.916 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.27 134.72 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.572 1.549 . . . . 0.0 109.532 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -143.88 140.53 29.82 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.019 1.328 . . . . 0.0 110.541 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.144 1.777 . . . . 0.0 112.604 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.7 m -65.93 151.89 45.73 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.686 1.194 . . . . 0.0 113.379 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -134.1 160.21 38.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.787 1.635 . . . . 0.0 111.454 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.19 152.79 49.24 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.806 1.642 . . . . 0.0 112.25 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -133.94 -1.58 2.99 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 126.66 1.984 . . . . 0.0 113.025 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -68.88 159.97 31.57 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.698 1.999 . . . . 0.0 112.694 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 51.5 68.85 0.73 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.983 2.113 . . . . 0.0 113.341 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -77.17 -17.84 58.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.916 1.287 . . . . 0.0 113.559 172.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 7' ' ' HIS . . . . . 0.485 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 35.3 t-80 -82.31 -170.31 2.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.773 1.629 . . . . 0.0 111.898 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 8' ' ' PHE . . . . . 0.485 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 6.5 m-30 -55.76 143.41 31.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.21 1.404 . . . . 0.0 113.356 -169.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t -79.95 163.39 24.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.77 -0.581 . . . . 0.0 112.443 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -67.27 -37.44 83.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -72.7 -25.89 61.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.53 1.132 . . . . 0.0 112.63 174.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.77 44.09 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.794 0.725 . . . . 0.0 110.828 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -60.87 -24.96 66.34 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.073 1.349 . . . . 0.0 114.237 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -59.2 -26.75 65.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.003 1.321 . . . . 0.0 113.88 169.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.04 -9.82 7.67 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -56.39 146.33 24.63 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.929 1.692 . . . . 0.0 112.249 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.26 129.98 34.88 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.838 0.855 . . . . 0.0 110.656 169.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -111.21 156.73 21.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.522 1.529 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.94 -0.45 54.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.653 1.181 . . . . 0.0 113.892 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -137.06 160.33 39.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.901 1.68 . . . . 0.0 111.822 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.75 157.85 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.018 1.327 . . . . 0.0 113.314 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -73.3 134.61 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.968 0.907 . . . . 0.0 109.765 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 36.8 p -97.01 -0.37 47.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.177 1.791 . . . . 0.0 113.918 179.423 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.476 0.858 0 CA-C-O 121.095 0.474 . . . . 0.0 111.915 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 121.018 0.437 . . . . 0.0 112.078 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 . . . . . 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 . . . . . 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p . . . . . 0 N--CA 1.477 0.875 0 CA-C-O 121.063 0.458 . . . . 0.0 111.779 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 . . . . . 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.477 0.908 0 CA-C-O 120.886 0.374 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 . . . . . 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.478 0.947 0 CA-C-O 120.62 0.248 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 . . . . . 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 . . . . . 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 121.124 0.488 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.638 0.256 . . . . 0.0 111.37 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 . . . . . 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p . . . . . 0 N--CA 1.477 0.924 0 CA-C-O 120.99 0.424 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 121.124 0.487 . . . . 0.0 111.954 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.029 0.442 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.474 0.756 0 CA-C-O 121.214 0.53 . . . . 0.0 112.133 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p . . . . . 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 . . . . . 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p . . . . . 0 N--CA 1.476 0.831 0 CA-C-O 121.369 0.604 . . . . 0.0 111.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.985 0.421 . . . . 0.0 111.672 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? . . . . . 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 121.027 0.441 . . . . 0.0 111.94 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? . . . . . 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 . . . . . 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 111.685 -0.566 . . . . 0.0 111.685 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 4.5 t 59.23 -179.55 0.08 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 126.022 1.729 . . . . 0.0 114.498 -173.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -76.81 141.13 40.82 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.935 1.294 . . . . 0.0 112.037 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -90.83 -20.78 21.93 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.978 1.311 . . . . 0.0 113.774 -179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -61.19 129.29 40.59 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 125.484 1.514 . . . . 0.0 111.984 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -141.61 165.76 26.61 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.593 1.957 . . . . 0.0 111.303 -172.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 17.3 ptm180 -124.27 147.67 47.94 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.924 1.69 . . . . 0.0 111.772 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.0 p -141.29 156.53 45.85 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 125.184 1.394 . . . . 0.0 112.615 -173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -134.78 165.35 25.48 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.505 1.522 . . . . 0.0 110.415 170.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -73.5 119.27 17.5 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 -168.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 39.5 p -78.69 164.97 24.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.373 1.069 . . . . 0.0 111.915 170.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.7 m -58.56 -29.72 66.61 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -82.95 -35.41 26.01 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.013 0.746 . . . . 0.0 113.013 174.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -64.69 -41.8 95.78 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 119.004 0.82 . . . . 0.0 111.52 172.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 73.3 mt -60.02 -41.07 91.4 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.051 0.94 . . . . 0.0 112.127 175.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -74.65 -36.08 62.86 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -65.33 -35.3 80.56 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.696 0.68 . . . . 0.0 111.214 171.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 20.3 mt -74.24 -34.15 63.55 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.465 -0.772 . . . . 0.0 112.503 175.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -64.75 -44.36 90.32 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.611 1.096 . . . . 0.0 111.599 169.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.51 -38.3 86.86 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.428 -0.795 . . . . 0.0 112.095 173.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.9 m -62.49 -45.25 93.85 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.358 1.063 . . . . 0.0 111.222 172.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -65.95 -40.23 91.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.509 1.124 . . . . 0.0 112.503 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -63.46 -32.37 73.79 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.985 0.914 . . . . 0.0 112.375 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 62.9 ttm-85 -75.99 -46.44 29.52 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.553 1.141 . . . . 0.0 112.142 173.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -153.06 115.88 4.53 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 125.822 1.649 . . . . 0.0 110.921 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -76.58 -17.74 59.04 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 114.424 1.268 . . . . 0.0 114.424 -176.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 10.8 p90 -148.45 74.63 10.56 Favored Pre-proline 0 CA--C 1.549 0.93 0 C-N-CA 124.744 1.217 . . . . 0.0 111.599 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_exo -67.54 163.91 33.04 Favored 'Trans proline' 0 C--N 1.351 0.673 0 C-N-CA 122.814 2.343 . . . . 0.0 113.65 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -65.51 153.06 42.5 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.339 0.656 . . . . 0.0 110.608 169.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.56 -34.48 69.23 Favored 'General case' 0 CA--C 1.542 0.661 0 O-C-N 121.091 -1.006 . . . . 0.0 112.878 -176.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -70.93 -35.88 72.42 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.963 0.801 . . . . 0.0 112.196 173.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 20.6 m -66.58 -43.12 85.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.794 0.838 . . . . 0.0 110.995 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.4 mtt180 -60.42 -38.06 82.87 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.521 0.728 . . . . 0.0 112.087 172.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -69.12 -40.44 78.3 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -62.96 -45.69 91.26 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 120.882 -1.136 . . . . 0.0 111.717 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -70.06 -23.97 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.027 -1.045 . . . . 0.0 112.521 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -45.89 76.8 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 119.103 0.865 . . . . 0.0 111.321 169.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.7 t -57.51 -44.37 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 C-N-CA 124.376 1.07 . . . . 0.0 111.039 171.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.2 m0 -69.03 -30.82 69.26 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 113.203 0.816 . . . . 0.0 113.203 -178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 34.3 p -88.87 -5.0 58.32 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.976 1.311 . . . . 0.0 113.776 172.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 55.98 39.9 30.46 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 126.516 1.926 . . . . 0.0 113.895 -171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.5 mt -107.61 172.81 6.62 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 127.118 2.167 . . . . 0.0 110.896 170.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 30.1 p -89.19 153.77 20.67 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 121.613 -0.679 . . . . 0.0 110.145 168.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.3 -24.48 67.88 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.214 -0.929 . . . . 0.0 112.863 175.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.63 -43.44 59.56 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.678 0.791 . . . . 0.0 112.091 174.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 65.1 mtt-85 -65.21 -36.73 85.07 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.6 0.76 . . . . 0.0 111.109 174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 24.9 t -64.81 -42.82 95.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.742 0 C-N-CA 123.908 0.883 . . . . 0.0 112.136 170.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.3 ttm105 -62.62 -39.6 94.32 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.9 1.227 . . . . 0.0 112.128 175.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.7 t -62.06 -39.88 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.497 0.719 . . . . 0.0 111.089 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -61.73 -46.04 91.34 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.596 1.089 . . . . 0.0 112.438 174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -61.97 -41.22 97.77 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.265 0.939 . . . . 0.0 112.292 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -62.25 -43.94 97.68 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.572 0.749 . . . . 0.0 111.736 174.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -64.44 -43.93 92.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.594 1.158 . . . . 0.0 111.784 176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -64.22 -38.97 92.96 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 125.03 1.332 . . . . 0.0 112.453 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -67.69 -41.1 84.17 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.648 1.179 . . . . 0.0 111.903 173.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.14 -42.97 99.56 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.708 0.686 . . . . 0.0 111.986 174.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -63.81 -34.34 77.69 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.695 1.198 . . . . 0.0 113.397 174.412 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 53.4 t90 -68.61 -41.84 78.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.869 0.868 . . . . 0.0 112.457 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 76.2 ttt-85 -76.74 -37.76 55.43 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.88 1.272 . . . . 0.0 114.169 -174.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 ptmt -72.46 158.24 36.12 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.935 1.087 . . . . 0.0 113.935 -173.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.78 -13.15 60.55 Favored 'General case' 0 N--CA 1.485 1.299 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 -178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -69.04 155.32 40.55 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.233 1.413 . . . . 0.0 113.043 -169.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -109.4 151.18 26.99 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.709 1.604 . . . . 0.0 113.403 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 54.88 26.86 8.27 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 126.305 1.842 . . . . 0.0 115.811 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -76.35 -9.07 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 125.061 1.344 . . . . 0.0 114.531 178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.0 t -129.34 134.34 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 126.053 1.741 . . . . 0.0 109.053 171.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.8 m -73.98 138.21 44.01 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.388 1.075 . . . . 0.0 111.873 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.103 1.761 . . . . 0.0 112.549 177.348 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.921 -0.472 . . . . 0.0 111.921 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.4 m -67.67 149.06 50.51 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.479 1.112 . . . . 0.0 112.986 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -80.98 -13.69 58.65 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.902 1.445 . . . . 0.0 114.902 -176.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -75.73 158.17 32.63 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.9 1.28 . . . . 0.0 113.238 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.4 ppt_? -72.96 167.76 20.39 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 124.85 1.26 . . . . 0.0 112.551 172.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -64.84 144.77 57.03 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.852 0.861 . . . . 0.0 112.787 -178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -77.75 -23.89 49.17 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.722 1.209 . . . . 0.0 113.762 -175.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.87 142.13 58.02 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.23 1.412 . . . . 0.0 113.377 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 37.8 t-80 -103.47 -49.71 3.63 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.833 1.253 . . . . 0.0 112.911 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -61.83 146.05 50.77 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 124.227 1.011 . . . . 0.0 112.736 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.0 t -104.57 163.96 12.09 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 124.339 1.055 . . . . 0.0 112.078 169.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 73.7 p -57.68 -36.15 71.54 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.832 1.253 . . . . 0.0 114.037 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.72 -36.03 79.87 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.608 0.763 . . . . 0.0 112.686 177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -71.14 -44.74 64.96 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.787 0.835 . . . . 0.0 110.625 175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.2 mt -62.77 -37.07 85.21 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.174 0.99 . . . . 0.0 112.013 176.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -67.1 -40.3 86.89 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.927 0.891 . . . . 0.0 112.177 175.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.74 -41.62 83.15 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 119.138 0.881 . . . . 0.0 111.824 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 49.8 mt -62.82 -44.69 95.48 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.464 1.105 . . . . 0.0 111.783 174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -64.86 -41.41 95.7 Favored 'General case' 0 CA--C 1.535 0.395 0 O-C-N 121.533 -0.73 . . . . 0.0 112.176 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.94 -45.56 92.21 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.356 0.98 . . . . 0.0 111.949 179.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 6.5 t -70.19 -37.35 75.08 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 119.262 0.937 . . . . 0.0 112.098 176.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -63.43 -40.49 97.3 Favored 'General case' 0 CA--C 1.542 0.662 0 O-C-N 120.664 -1.273 . . . . 0.0 112.606 176.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 31.1 mm100 -81.33 -31.61 33.39 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 113.712 1.004 . . . . 0.0 113.712 -179.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -104.31 -42.21 5.55 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -172.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -87.21 -33.11 19.44 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.103 0.961 . . . . 0.0 111.791 178.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 63.29 -23.96 0.06 Allowed 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 128.823 2.849 . . . . 0.0 117.726 169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -137.37 50.52 3.59 Favored Pre-proline 0 CA--C 1.553 1.095 0 C-N-CA 125.724 1.61 . . . . 0.0 113.706 175.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -61.13 132.21 40.57 Favored 'Trans proline' 0 C--N 1.356 0.922 0 C-N-CA 122.544 2.163 . . . . 0.0 110.913 171.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -92.77 177.94 5.94 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.591 1.156 . . . . 0.0 111.427 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -35.92 71.56 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 120.477 -1.39 . . . . 0.0 113.514 -174.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 29.8 p -69.55 -39.77 77.21 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.222 1.009 . . . . 0.0 112.199 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -61.1 -42.47 98.58 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.943 0.897 . . . . 0.0 110.993 172.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 66.6 mtt180 -67.06 -38.41 85.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.595 1.158 . . . . 0.0 111.992 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -64.81 -37.59 88.14 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -68.52 -47.21 67.54 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.29 0.95 . . . . 0.0 112.029 175.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -68.26 -22.7 27.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 O-C-N 121.118 -0.989 . . . . 0.0 112.417 177.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -48.89 74.37 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.296 0.953 . . . . 0.0 111.437 173.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.03 -29.72 44.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 O-C-N 121.128 -0.982 . . . . 0.0 112.649 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 44.0 m0 -73.15 -33.3 65.42 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.032 0.833 . . . . 0.0 113.043 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.7 p -87.95 -5.1 58.71 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.009 1.324 . . . . 0.0 113.611 173.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 56.73 33.77 23.5 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.525 1.93 . . . . 0.0 113.993 -171.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -97.59 168.59 10.27 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.154 1.781 . . . . 0.0 111.345 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 42.2 p -86.48 150.78 24.03 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 121.74 -0.6 . . . . 0.0 109.492 167.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -23.47 67.42 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 121.114 -0.991 . . . . 0.0 112.862 176.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.48 -45.18 60.69 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.684 0.794 . . . . 0.0 112.162 173.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 91.8 mtt-85 -63.18 -38.73 92.33 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.498 0.719 . . . . 0.0 111.578 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.9 t -61.98 -48.13 89.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 C-N-CA 123.783 0.833 . . . . 0.0 111.226 171.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.8 ttm105 -61.18 -39.4 90.01 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.66 1.118 . . . . 0.0 112.347 178.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.83 -43.05 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.82 0.848 . . . . 0.0 111.309 172.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 76.5 t90 -60.65 -45.48 93.94 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.911 0.778 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -63.48 -42.01 98.56 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 118.932 0.787 . . . . 0.0 112.481 177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -61.35 -43.75 98.34 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.389 0.995 . . . . 0.0 112.013 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -64.36 -46.93 81.3 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.277 1.031 . . . . 0.0 111.414 176.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -60.67 -45.46 94.07 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.633 1.173 . . . . 0.0 111.917 177.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 32.9 mmt180 -60.96 -41.79 97.01 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.272 1.029 . . . . 0.0 112.243 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.68 -45.11 94.3 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 119.112 0.869 . . . . 0.0 112.225 176.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 mtpt -69.92 -27.26 64.63 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.276 1.031 . . . . 0.0 113.616 177.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 52.0 t90 -78.7 -42.78 27.51 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.117 1.767 . . . . 0.0 112.697 175.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 48.0 ttp180 -83.53 -37.45 23.03 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.031 1.332 . . . . 0.0 113.463 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt 60.67 -58.7 0.08 Allowed 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 129.198 2.999 . . . . 0.0 117.308 175.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . 0.258 0.0 OUTLIER -85.02 17.36 2.95 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 -171.012 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.23 159.04 24.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.44 1.096 . . . . 0.0 113.348 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -118.15 158.32 25.29 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.084 1.354 . . . . 0.0 112.557 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -82.38 -3.38 55.43 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 -177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 45.2 mm -73.29 128.26 35.81 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 124.503 1.121 . . . . 0.0 110.738 -178.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.93 4.69 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.26 0 C-N-CA 125.499 1.519 . . . . 0.0 113.714 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 27.9 p -86.51 -7.14 58.64 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.418 1.487 . . . . 0.0 114.493 -174.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.524 1.93 . . . . 0.0 112.665 178.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.626 -0.589 . . . . 0.0 111.626 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 9.8 t -74.37 155.82 37.72 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.982 0.913 . . . . 0.0 112.818 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -135.34 137.53 42.5 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.886 1.674 . . . . 0.0 109.996 177.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 tpt85 59.71 -14.15 0.03 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 128.031 2.532 . . . . 0.0 116.883 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -107.45 163.65 12.87 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.834 2.054 . . . . 0.0 110.313 173.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 22.9 mp0 52.0 -144.45 0.6 Allowed 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 124.872 1.269 . . . . 0.0 111.609 -170.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm180 56.22 20.9 4.85 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 126.447 1.899 . . . . 0.0 115.025 -175.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 20.3 p -67.6 154.93 40.33 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.219 1.008 . . . . 0.0 112.104 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 t60 63.16 160.59 0.09 Allowed 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 126.478 1.911 . . . . 0.0 114.354 -169.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -68.61 152.41 45.4 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 115.159 1.54 . . . . 0.0 115.159 -169.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 68.4 p -146.01 167.76 22.57 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 128.028 2.531 . . . . 0.0 108.662 168.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -53.37 -34.02 55.96 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -65.29 -46.77 79.1 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.666 1.186 . . . . 0.0 112.281 176.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -75.85 -34.96 60.08 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 124.031 0.933 . . . . 0.0 111.458 -176.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.91 -38.77 83.37 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.231 1.012 . . . . 0.0 111.167 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -65.27 -37.7 88.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.858 0.753 . . . . 0.0 111.872 172.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -66.13 -35.58 80.87 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.369 -0.832 . . . . 0.0 112.075 174.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -69.57 -36.09 75.96 Favored 'General case' 0 CA--C 1.539 0.529 0 O-C-N 121.136 -0.978 . . . . 0.0 112.783 172.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.57 -39.81 88.65 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.754 1.161 . . . . 0.0 112.386 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.83 84.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.821 0.848 . . . . 0.0 112.007 174.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 95.8 m -65.33 -47.03 77.92 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.924 1.29 . . . . 0.0 111.104 171.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -63.0 -42.64 99.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.324 1.05 . . . . 0.0 112.763 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 3.4 pp0? -72.94 -18.22 61.41 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -78.42 -49.6 13.2 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 124.104 0.962 . . . . 0.0 110.624 169.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.74 112.01 3.85 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.75 1.62 . . . . 0.0 110.779 178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -68.65 -26.37 65.29 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 -118.32 72.88 10.06 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 126.197 1.799 . . . . 0.0 110.875 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.92 147.8 69.07 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.865 2.376 . . . . 0.0 111.589 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -77.51 163.26 26.47 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.934 0.894 . . . . 0.0 111.062 173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 17.2 mmt -64.62 -30.02 71.04 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 120.517 -1.364 . . . . 0.0 113.137 -173.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 39.7 p -69.28 -37.83 78.07 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.046 0.938 . . . . 0.0 112.495 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.6 m -64.4 -45.15 88.88 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.294 1.038 . . . . 0.0 110.758 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.8 mtt180 -62.24 -40.88 97.65 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.405 1.082 . . . . 0.0 111.871 176.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -65.92 -41.11 91.81 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.353 0.661 . . . . 0.0 112.316 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -62.12 -50.74 70.68 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.365 -0.834 . . . . 0.0 111.343 173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . 0.252 1.6 pp -67.87 -24.52 30.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 CA-C-N 119.96 1.255 . . . . 0.0 112.726 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.57 -44.94 85.14 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 119.287 0.949 . . . . 0.0 111.288 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -62.14 -43.03 97.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 124.561 1.144 . . . . 0.0 111.5 172.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.45 -36.04 80.4 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.487 0.715 . . . . 0.0 112.233 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 52.9 p -88.17 -9.64 52.47 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.845 1.258 . . . . 0.0 114.041 176.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 61.2 22.45 12.78 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.356 1.862 . . . . 0.0 114.47 -169.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.7 mt -84.16 169.24 15.02 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 124.836 1.254 . . . . 0.0 111.871 171.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 38.9 p -87.48 151.86 22.69 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.979 0.912 . . . . 0.0 110.595 168.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -63.52 -27.41 69.25 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.85 -1.156 . . . . 0.0 112.521 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.18 -44.35 88.72 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.85 0.86 . . . . 0.0 111.594 174.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.4 mtt85 -61.04 -44.74 96.95 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.447 0.699 . . . . 0.0 111.871 173.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 50.7 t -62.38 -46.01 97.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.691 0.796 . . . . 0.0 111.646 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.7 ttm105 -65.57 -37.33 86.37 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.031 0.932 . . . . 0.0 112.09 178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 48.3 t -67.41 -38.33 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 123.824 0.85 . . . . 0.0 111.535 171.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -62.17 -45.22 94.37 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 119.875 1.216 . . . . 0.0 111.997 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -67.25 -25.62 66.17 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 177.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 24.8 ttmm -75.8 -43.5 45.94 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.562 1.145 . . . . 0.0 112.039 170.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -60.76 -41.18 94.95 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.482 1.513 . . . . 0.0 111.548 176.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -58.88 -42.88 90.54 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.346 1.458 . . . . 0.0 112.219 174.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 69.0 mtt85 -70.44 -38.85 74.58 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.838 1.255 . . . . 0.0 112.745 176.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.81 -42.72 99.83 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.248 0.619 . . . . 0.0 112.003 174.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 50.5 mttp -72.39 -26.73 62.0 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.428 1.091 . . . . 0.0 113.745 176.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 59.2 t90 -70.8 -44.67 66.11 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.861 0.864 . . . . 0.0 112.008 169.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 33.4 ttt85 -74.86 -30.48 61.36 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.673 1.189 . . . . 0.0 113.275 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 65.6 pttt 45.85 30.84 0.93 Allowed 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 128.497 2.719 . . . . 0.0 116.503 169.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.6 tpm_? 53.71 23.61 3.8 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 126.789 2.036 . . . . 0.0 114.628 -171.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -95.36 -13.8 24.42 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 126.03 1.732 . . . . 0.0 111.757 173.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 64.51 171.76 0.19 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 127.703 2.401 . . . . 0.0 115.256 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -140.98 158.7 43.57 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.34 1.456 . . . . 0.0 111.526 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.0 pt -67.77 152.23 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 124.805 1.242 . . . . 0.0 113.503 -176.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 11.4 p -150.66 151.16 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.575 1.55 . . . . 0.0 110.796 177.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 8.9 m -64.52 138.49 58.44 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.721 1.208 . . . . 0.0 111.709 179.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.254 1.422 . . . . 0.0 114.484 179.881 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.62 0 N-CA-C 111.619 -0.592 . . . . 0.0 111.619 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 15.4 m -79.97 25.23 0.37 Allowed 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -170.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 54.15 39.67 30.94 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.084 1.754 . . . . 0.0 114.035 -178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -95.91 152.92 18.06 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.712 1.605 . . . . 0.0 111.65 177.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 8.5 mmp_? 51.17 47.3 25.11 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 125.882 1.673 . . . . 0.0 113.343 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -64.28 -30.51 71.56 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.042 0.937 . . . . 0.0 112.4 176.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -146.62 167.97 22.45 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.679 1.992 . . . . 0.0 111.57 169.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 11.4 m 63.47 131.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.194 2.198 . . . . 0.0 113.449 -175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -86.02 164.54 17.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.877 0.871 . . . . 0.0 113.043 -178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 64.08 154.16 0.05 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 128.352 2.661 . . . . 0.0 114.563 -174.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 19.1 p -79.07 161.37 26.6 Favored 'General case' 0 N--CA 1.477 0.875 0 O-C-N 120.984 -1.072 . . . . 0.0 111.779 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -58.09 -33.34 68.97 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.268 -0.895 . . . . 0.0 112.316 173.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -71.17 -41.89 69.77 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.96 0.904 . . . . 0.0 111.982 176.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -61.83 -49.05 77.84 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.577 0.626 . . . . 0.0 111.26 173.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 88.6 mt -62.92 -39.47 94.66 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.802 0.841 . . . . 0.0 111.962 -179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -66.17 -41.66 89.98 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.576 0.751 . . . . 0.0 112.23 174.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -73.81 -34.45 64.6 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.344 0.975 . . . . 0.0 112.677 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 53.3 mt -62.64 -43.76 97.98 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.897 0.879 . . . . 0.0 111.06 171.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -65.99 -43.9 86.42 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.505 -0.747 . . . . 0.0 112.264 174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.14 -42.38 99.19 Favored 'General case' 0 CA--C 1.537 0.445 0 O-C-N 121.66 -0.65 . . . . 0.0 111.698 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.89 -30.08 63.66 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.972 -1.08 . . . . 0.0 112.774 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -65.1 -39.46 93.17 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 118.833 0.742 . . . . 0.0 111.402 168.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -70.76 -35.39 72.61 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.823 0.849 . . . . 0.0 112.951 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 66.4 mtm-85 -69.06 -39.68 78.98 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.174 0.99 . . . . 0.0 112.566 173.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -141.98 86.01 1.96 Allowed 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.776 1.23 . . . . 0.0 111.588 -174.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -65.02 157.17 29.1 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.872 0.869 . . . . 0.0 112.14 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 48.23 51.62 11.06 Favored Pre-proline 0 CA--C 1.557 1.243 0 C-N-CA 125.457 1.503 . . . . 0.0 114.489 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -67.27 143.81 65.83 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 122.835 2.357 . . . . 0.0 112.326 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 39.1 t0 -76.21 166.47 23.41 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.344 1.058 . . . . 0.0 111.428 176.054 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.47 -37.65 78.74 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 120.674 -1.266 . . . . 0.0 112.43 -177.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 36.0 p -69.24 -39.17 78.66 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 124.044 0.938 . . . . 0.0 112.427 172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 7.0 m -60.15 -45.25 93.69 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 123.967 0.907 . . . . 0.0 111.049 174.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.29 -40.89 97.77 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.377 1.071 . . . . 0.0 111.492 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -71.44 -30.99 66.69 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.5 -47.97 65.61 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 119.583 1.083 . . . . 0.0 111.717 170.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -67.76 -24.17 30.45 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.114 -0.991 . . . . 0.0 112.179 177.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.03 -44.8 87.93 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.208 0.913 . . . . 0.0 112.187 172.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.55 -24.96 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 CA-C-N 120.096 1.316 . . . . 0.0 112.742 175.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.5 m0 -76.97 -31.7 56.75 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.959 0.904 . . . . 0.0 113.048 174.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 59.4 p -98.29 -0.12 44.53 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 125.693 1.597 . . . . 0.0 113.929 177.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.7 t30 53.72 46.52 25.73 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 126.549 1.94 . . . . 0.0 113.977 -172.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 mp -100.85 166.35 10.89 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.118 1.767 . . . . 0.0 111.583 169.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.2 m -97.01 152.17 18.99 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.765 1.626 . . . . 0.0 110.726 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -59.25 -28.35 66.62 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.229 1.412 . . . . 0.0 114.64 -172.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.03 16.32 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.931 0.893 . . . . 0.0 112.897 172.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 47.3 mtm-85 -66.75 -37.69 85.14 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.149 -0.969 . . . . 0.0 112.477 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.15 -39.8 86.71 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 118.337 0.517 . . . . 0.0 111.631 172.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 74.5 mtt85 -63.25 -43.08 99.04 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.953 0.901 . . . . 0.0 111.759 176.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.78 -45.21 99.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 CA-C-O 118.702 -0.666 . . . . 0.0 111.206 172.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 28.4 t90 -62.29 -46.33 89.25 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 119.566 1.075 . . . . 0.0 112.003 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -70.17 -33.97 72.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 178.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -64.12 -44.52 91.99 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.577 1.08 . . . . 0.0 111.453 171.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.56 -46.33 86.43 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.398 1.079 . . . . 0.0 111.545 177.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.12 -49.1 79.17 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.955 1.302 . . . . 0.0 111.794 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 78.8 ttt-85 -59.13 -44.39 92.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.174 0.99 . . . . 0.0 111.786 178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.38 -46.57 88.04 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-N 118.504 0.593 . . . . 0.0 112.412 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -68.15 -31.02 70.28 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.301 1.04 . . . . 0.0 113.26 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 64.6 t90 -78.33 -45.76 21.8 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 125.064 1.345 . . . . 0.0 112.854 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.5 ttt85 -77.92 -41.12 37.54 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.595 1.158 . . . . 0.0 113.342 -176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.8 mtpt 56.5 -175.9 0.06 Allowed 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 126.604 1.962 . . . . 0.0 114.342 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -70.37 142.66 52.09 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.46 1.504 . . . . 0.0 111.184 169.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -108.15 149.4 28.57 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 125.875 1.67 . . . . 0.0 111.833 173.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 22.7 tt0 -136.61 2.54 2.69 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.538 1.135 . . . . 0.0 113.281 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -73.53 149.29 42.32 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 120.702 -1.249 . . . . 0.0 112.726 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.2 tp -78.31 -13.84 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.109 1.363 . . . . 0.0 113.897 -176.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 4.6 t 57.96 63.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.943 1.697 . . . . 0.0 111.536 -177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.6 m -59.01 138.72 57.41 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 125.285 1.434 . . . . 0.0 112.161 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.176 1.39 . . . . 0.0 113.878 178.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.583 0 N-CA-C 112.116 -0.394 . . . . 0.0 112.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.2 m -67.02 150.95 48.52 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.581 1.153 . . . . 0.0 113.281 -178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -134.53 158.86 42.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 125.788 1.635 . . . . 0.0 111.349 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 83.7 mtt85 -129.24 147.14 51.05 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 125.65 1.58 . . . . 0.0 111.621 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 95.1 mtm-85 -142.5 156.89 45.19 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.384 1.873 . . . . 0.0 111.712 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -75.64 156.28 35.0 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.108 0.963 . . . . 0.0 111.353 169.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -128.12 126.93 42.09 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.899 1.28 . . . . 0.0 112.257 -176.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 30.1 p 48.43 34.59 4.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 127.247 2.219 . . . . 0.0 115.963 174.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -115.26 158.31 22.5 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.796 1.638 . . . . 0.0 111.898 -178.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -70.06 156.58 38.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 113.53 0.937 . . . . 0.0 113.53 -175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.0 t -130.95 166.79 20.2 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 125.283 1.433 . . . . 0.0 112.348 170.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 38.3 m -54.55 -38.95 67.21 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.378 1.471 . . . . 0.0 114.527 -169.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -69.07 -33.96 74.39 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.604 0.761 . . . . 0.0 112.223 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.93 -43.78 64.71 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.682 0.793 . . . . 0.0 110.414 174.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.01 -39.57 82.29 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.0 0.92 . . . . 0.0 112.011 173.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -65.96 -42.37 90.03 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 112.244 177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -68.38 -41.43 80.59 Favored 'General case' 0 CA--C 1.542 0.664 0 O-C-N 121.524 -0.735 . . . . 0.0 112.032 176.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 54.8 mt -65.3 -42.1 93.41 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.287 1.035 . . . . 0.0 111.848 176.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -70.39 -25.76 63.39 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.261 -0.899 . . . . 0.0 112.934 176.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.8 -46.21 72.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.166 -0.958 . . . . 0.0 111.972 173.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -69.76 -36.28 75.65 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 121.039 -1.038 . . . . 0.0 111.904 174.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -58.33 -41.11 83.85 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.257 1.023 . . . . 0.0 112.929 174.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -88.84 -29.87 19.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 -178.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -103.3 -41.48 6.03 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -171.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -89.04 -37.95 14.76 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.037 0.935 . . . . 0.0 111.574 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 64.45 -31.91 0.13 Allowed 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 129.085 2.954 . . . . 0.0 116.867 172.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -133.71 53.64 10.73 Favored Pre-proline 0 CA--C 1.551 1.003 0 C-N-CA 125.734 1.614 . . . . 0.0 112.951 -177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -63.76 139.02 66.81 Favored 'Trans proline' 0 C--N 1.354 0.842 0 C-N-CA 122.838 2.359 . . . . 0.0 111.794 176.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -75.09 163.76 27.23 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.532 1.133 . . . . 0.0 111.536 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 39.5 mmt -54.16 -36.56 63.49 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 120.624 -1.298 . . . . 0.0 112.896 174.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -69.27 -37.49 77.93 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 118.892 0.769 . . . . 0.0 112.322 173.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.7 m -63.22 -43.67 97.44 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 121.363 -0.836 . . . . 0.0 110.934 173.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 42.9 mtt180 -64.81 -39.16 93.13 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.746 1.218 . . . . 0.0 111.773 178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.62 -37.04 81.93 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 123.428 0.691 . . . . 0.0 112.714 174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -67.29 -47.39 70.74 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.165 -0.96 . . . . 0.0 111.985 174.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.91 -22.89 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 O-C-N 121.01 -1.056 . . . . 0.0 112.366 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.29 -48.53 75.31 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 119.33 0.968 . . . . 0.0 111.592 172.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.3 m -69.37 -28.66 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 O-C-N 120.806 -1.184 . . . . 0.0 112.716 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -73.68 -33.69 64.55 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.0 0.818 . . . . 0.0 113.023 174.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 43.9 p -88.02 -5.57 58.43 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.864 1.266 . . . . 0.0 113.763 173.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 46.3 t30 56.37 53.18 9.04 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.55 1.94 . . . . 0.0 113.535 -171.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -122.69 170.75 9.73 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 127.959 2.504 . . . . 0.0 110.437 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 65.3 p -89.56 150.26 22.5 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 121.684 -0.635 . . . . 0.0 109.92 168.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -61.09 -27.75 68.59 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.116 -0.99 . . . . 0.0 112.802 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.44 -42.91 74.34 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.344 0.658 . . . . 0.0 112.348 173.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -62.42 -41.03 98.4 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 118.785 0.72 . . . . 0.0 111.431 173.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.73 -47.39 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 C-N-CA 123.894 0.878 . . . . 0.0 111.569 173.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 45.4 ttm105 -60.22 -39.49 86.81 Favored 'General case' 0 N--CA 1.474 0.757 0 O-C-N 121.304 -0.873 . . . . 0.0 112.089 177.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 54.7 t -64.93 -41.48 92.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 123.576 0.75 . . . . 0.0 111.285 171.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 38.4 t90 -60.04 -41.59 92.61 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 119.582 1.083 . . . . 0.0 112.787 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -62.44 -20.24 64.31 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -91.56 -41.6 10.7 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.79 1.236 . . . . 0.0 111.736 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -59.75 -38.99 83.27 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.63 1.172 . . . . 0.0 112.447 179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 48.6 tpt85 -66.27 -31.46 72.27 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -90.05 -27.48 19.68 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.956 0.902 . . . . 0.0 113.176 174.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.0 -39.28 93.75 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.454 0.701 . . . . 0.0 112.004 169.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -67.25 -29.61 69.29 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.373 1.069 . . . . 0.0 113.663 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 25.3 t90 -72.85 -46.45 52.86 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.558 1.143 . . . . 0.0 112.395 176.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 28.4 mmt180 -90.64 -29.52 17.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 mttp 59.66 162.79 0.05 OUTLIER 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 128.651 2.78 . . . . 0.0 115.66 179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 10.1 mmm180 -121.27 153.24 37.93 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 126.255 1.822 . . . . 0.0 110.728 172.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -81.7 119.25 23.6 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.623 0.769 . . . . 0.0 111.385 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -77.36 -17.52 58.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 113.397 0.888 . . . . 0.0 113.397 -178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 28.7 t80 -115.08 36.18 4.01 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.036 1.734 . . . . 0.0 111.863 177.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -62.24 -24.04 33.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.782 1.233 . . . . 0.0 113.009 177.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.47 148.49 20.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 C-N-CA 126.3 1.84 . . . . 0.0 110.298 172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.8 m -74.68 -28.97 61.06 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.489 1.116 . . . . 0.0 113.335 -174.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 125.65 1.58 . . . . 0.0 114.322 -176.249 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 18.9 m 55.21 33.63 20.99 Favored 'General case' 0 N--CA 1.481 1.125 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -139.72 157.7 45.33 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 126.131 1.772 . . . . 0.0 111.477 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -89.44 8.02 32.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.625 1.57 . . . . 0.0 113.732 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 55.37 36.36 26.93 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.759 2.024 . . . . 0.0 112.249 -173.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.9 pm0 -82.8 152.2 25.78 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.268 1.827 . . . . 0.0 112.936 -177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 46.42 50.29 12.6 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.499 1.92 . . . . 0.0 113.987 171.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.3 p -65.13 -38.34 90.32 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.645 1.178 . . . . 0.0 113.704 -173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . 0.505 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 1.9 t60 52.33 -162.05 0.09 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.62 1.968 . . . . 0.0 114.413 174.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.505 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 90.1 m-85 -129.6 158.43 39.31 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.746 2.018 . . . . 0.0 110.669 170.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.6 t -136.91 161.66 35.41 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.565 1.146 . . . . 0.0 111.537 168.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 81.2 p -58.89 -29.61 67.15 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.723 1.209 . . . . 0.0 114.254 -171.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -69.15 -40.6 78.12 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.394 -0.816 . . . . 0.0 111.932 175.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -69.3 -41.63 76.52 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.974 0.91 . . . . 0.0 110.998 176.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.73 -35.06 78.06 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.224 1.01 . . . . 0.0 112.088 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -76.47 -33.83 58.69 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 174.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.14 -37.07 86.13 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 118.827 0.74 . . . . 0.0 110.883 169.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.8 mt -69.47 -38.18 77.61 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.821 0.849 . . . . 0.0 112.353 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 tp10 -63.08 -44.47 95.67 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.176 0.898 . . . . 0.0 111.807 172.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.5 -39.89 94.95 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.49 -0.756 . . . . 0.0 112.071 173.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 96.5 m -62.51 -44.28 96.76 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.537 1.135 . . . . 0.0 111.307 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.0 t80 -63.67 -40.47 96.91 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.09 1.356 . . . . 0.0 112.676 177.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -70.18 -27.64 64.68 Favored 'General case' 0 CA--C 1.543 0.709 0 O-C-N 121.709 -0.619 . . . . 0.0 112.641 175.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.2 tpt85 -79.92 -34.97 38.5 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.505 1.122 . . . . 0.0 113.349 173.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.6 t-20 -153.17 118.33 5.16 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.602 1.561 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 13.4 ttm105 -87.89 -7.06 57.7 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -144.11 53.47 2.33 Favored Pre-proline 0 CA--C 1.555 1.165 0 C-N-CA 126.059 1.744 . . . . 0.0 112.783 -176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -63.94 146.39 91.29 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.996 2.464 . . . . 0.0 112.69 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -75.14 160.39 30.5 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.354 1.061 . . . . 0.0 111.33 172.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -61.42 -27.94 68.91 Favored 'General case' 0 CA--C 1.539 0.545 0 O-C-N 120.959 -1.088 . . . . 0.0 113.754 -173.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 81.7 p -70.26 -34.88 73.34 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.292 0.951 . . . . 0.0 112.875 172.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 98.8 m -71.49 -42.38 68.13 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.071 0.948 . . . . 0.0 110.415 173.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -60.43 -40.19 90.16 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.553 0.741 . . . . 0.0 112.0 173.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 45.3 tt0 -66.01 -41.26 91.24 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 123.479 0.711 . . . . 0.0 112.477 175.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 50.7 mm-40 -61.2 -50.83 71.52 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.092 0.86 . . . . 0.0 111.413 172.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.4 -23.51 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 CA-C-N 119.84 1.2 . . . . 0.0 112.776 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -44.22 84.7 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.047 0.939 . . . . 0.0 111.19 169.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 42.7 t -62.62 -42.08 94.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 124.431 1.092 . . . . 0.0 111.273 172.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 28.6 m0 -68.15 -36.09 79.1 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 118.884 0.765 . . . . 0.0 112.502 -179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 45.3 p -88.21 -8.73 54.86 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.885 1.274 . . . . 0.0 113.943 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 56.41 48.07 17.67 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.632 1.573 . . . . 0.0 113.045 -169.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.45 170.2 8.34 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 126.647 1.979 . . . . 0.0 111.172 171.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 67.0 p -84.57 155.63 22.0 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.363 0.665 . . . . 0.0 110.185 168.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.84 -26.16 68.62 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.15 -0.969 . . . . 0.0 112.327 171.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.1 -45.8 72.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.91 0.884 . . . . 0.0 111.782 175.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 75.3 mtt-85 -61.38 -43.31 99.09 Favored 'General case' 0 N--CA 1.476 0.838 0 O-C-N 121.672 -0.642 . . . . 0.0 111.918 173.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -62.96 -44.95 99.95 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 123.787 0.835 . . . . 0.0 111.756 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 43.9 ttm105 -66.39 -39.86 89.33 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.915 0.886 . . . . 0.0 112.226 179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -65.07 -43.46 95.89 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-N 118.576 0.625 . . . . 0.0 110.803 172.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 69.3 t90 -61.56 -45.62 93.36 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.969 0.804 . . . . 0.0 111.926 178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -65.61 -40.84 93.05 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 118.955 0.798 . . . . 0.0 112.537 177.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.77 -45.59 91.81 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.345 0.975 . . . . 0.0 111.425 173.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -64.09 -45.75 87.32 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.841 1.256 . . . . 0.0 111.928 178.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 46.5 tpt85 -69.15 -39.83 78.58 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.592 1.157 . . . . 0.0 112.732 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 71.4 mtp85 -66.58 -38.6 87.38 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.206 1.002 . . . . 0.0 112.056 174.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.2 -43.74 94.13 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.978 0.808 . . . . 0.0 112.156 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -63.33 -41.69 98.91 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.065 0.946 . . . . 0.0 112.409 174.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -62.15 -47.33 85.01 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.712 0.805 . . . . 0.0 111.969 173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -60.27 -36.06 76.94 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.508 1.123 . . . . 0.0 112.493 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -71.45 -34.66 70.45 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.896 1.278 . . . . 0.0 112.939 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 52.6 tpt85 -77.47 -33.81 54.52 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.94 1.296 . . . . 0.0 113.342 177.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.39 161.57 30.65 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 124.721 1.209 . . . . 0.0 112.857 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -141.12 146.88 37.64 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.256 1.423 . . . . 0.0 110.848 176.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -83.06 -18.18 40.56 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.444 1.098 . . . . 0.0 113.909 -173.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.285 41.1 pt 48.28 35.02 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 127.703 2.401 . . . . 0.0 115.5 173.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -70.86 -36.91 66.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.372 1.069 . . . . 0.0 111.621 -179.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 23.0 p -89.54 149.77 22.73 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.506 1.523 . . . . 0.0 112.509 177.06 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 126.136 1.774 . . . . 0.0 112.594 178.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 34.0 m -69.31 148.03 50.3 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.368 1.067 . . . . 0.0 113.212 -177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -70.53 151.06 45.48 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.715 0.806 . . . . 0.0 111.855 175.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.64 26.3 4.04 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.644 1.577 . . . . 0.0 113.945 -177.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -74.06 163.13 28.26 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.062 1.745 . . . . 0.0 111.991 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -133.17 145.99 51.13 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.256 1.422 . . . . 0.0 111.284 177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -79.21 137.25 37.34 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.145 1.378 . . . . 0.0 111.722 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 87.1 m -131.76 135.25 46.65 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 125.723 1.609 . . . . 0.0 109.802 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -112.93 12.75 19.43 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.698 1.599 . . . . 0.0 114.105 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 90.1 m-85 -101.09 165.28 11.39 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.952 1.701 . . . . 0.0 111.332 169.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.1 t -123.1 152.16 41.34 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.995 1.318 . . . . 0.0 111.069 168.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 20.4 m -56.46 -29.74 62.07 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -169.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -65.15 -33.03 75.04 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.482 0.713 . . . . 0.0 112.575 175.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -71.25 -43.07 67.96 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.843 0.857 . . . . 0.0 110.601 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -40.4 95.22 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.256 0.622 . . . . 0.0 111.574 175.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -63.22 -43.76 97.2 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.607 0.763 . . . . 0.0 111.54 176.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -67.92 -40.62 83.35 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.756 -0.59 . . . . 0.0 111.992 177.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.41 -35.37 77.55 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 121.325 -0.859 . . . . 0.0 112.773 176.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -69.3 -41.01 77.34 Favored 'General case' 0 CA--C 1.538 0.508 0 O-C-N 121.266 -0.896 . . . . 0.0 111.916 172.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.16 -38.54 91.57 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.057 0.844 . . . . 0.0 111.814 172.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 99.5 m -61.6 -48.91 78.78 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.951 1.301 . . . . 0.0 110.876 173.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -61.47 -41.48 97.32 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.138 1.375 . . . . 0.0 112.609 176.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -67.65 -32.82 73.77 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.848 0.859 . . . . 0.0 112.697 176.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -74.62 -42.71 58.11 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.451 1.1 . . . . 0.0 112.198 173.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 -151.44 118.26 5.81 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 125.484 1.514 . . . . 0.0 111.028 178.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 mtp180 -80.65 -11.17 59.68 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 176.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -131.52 55.06 16.38 Favored Pre-proline 0 CA--C 1.552 1.046 0 C-N-CA 125.747 1.619 . . . . 0.0 112.684 -174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.79 145.12 61.78 Favored 'Trans proline' 0 C--N 1.351 0.704 0 C-N-CA 122.688 2.259 . . . . 0.0 111.75 176.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 41.2 t0 -75.06 163.35 27.67 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.899 0.879 . . . . 0.0 111.133 172.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.2 mmt -65.29 -27.19 68.45 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 120.773 -1.205 . . . . 0.0 113.094 -172.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 28.2 p -69.11 -43.02 75.3 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 124.404 1.081 . . . . 0.0 112.306 170.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 33.1 m -62.1 -42.38 99.17 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.438 1.095 . . . . 0.0 110.918 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 44.0 mtt180 -62.13 -38.18 87.95 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.208 1.003 . . . . 0.0 112.151 174.135 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -69.24 -37.14 77.84 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.867 0.758 . . . . 0.0 112.845 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -64.17 -49.11 73.37 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 121.248 -0.907 . . . . 0.0 111.559 173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.44 -22.54 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.221 -0.925 . . . . 0.0 112.402 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.45 -52.53 52.43 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.781 0.832 . . . . 0.0 111.385 171.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.7 m -65.59 -29.05 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 O-C-N 120.837 -1.165 . . . . 0.0 112.571 178.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -71.8 -18.47 62.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.122 0.969 . . . . 0.0 113.588 173.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 39.5 p -109.09 2.51 21.18 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.908 1.683 . . . . 0.0 113.515 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 57.79 28.83 16.51 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 127.203 2.201 . . . . 0.0 114.758 -171.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mp -91.83 175.98 6.69 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 126.772 2.029 . . . . 0.0 111.011 169.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 11.1 t -109.75 153.5 24.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.283 1.433 . . . . 0.0 109.675 167.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -62.25 -29.43 70.39 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 121.112 -0.992 . . . . 0.0 113.24 -173.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.75 -38.86 84.04 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 118.634 0.652 . . . . 0.0 112.281 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -68.47 -37.02 79.79 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.193 0.997 . . . . 0.0 111.38 175.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.8 t -65.34 -42.14 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 123.824 0.85 . . . . 0.0 111.755 170.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -61.22 -41.89 97.64 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.176 -0.953 . . . . 0.0 111.585 176.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 60.4 t -65.23 -37.54 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.517 1.127 . . . . 0.0 111.885 171.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 79.8 t90 -63.08 -48.32 79.14 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.537 1.062 . . . . 0.0 111.95 174.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -63.49 -36.96 85.49 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 119.134 0.879 . . . . 0.0 112.32 176.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -61.09 -47.12 87.77 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.547 0.739 . . . . 0.0 111.647 173.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 m-80 -65.14 -44.21 89.38 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.427 0.691 . . . . 0.0 112.071 176.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 -56.92 -45.97 82.34 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 125.223 1.409 . . . . 0.0 111.568 178.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -70.94 -43.52 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.924 0.89 . . . . 0.0 112.391 176.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.53 -46.65 87.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.224 0.61 . . . . 0.0 112.313 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -73.35 -21.56 60.5 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.499 1.119 . . . . 0.0 113.318 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -74.11 -49.39 24.11 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.326 1.05 . . . . 0.0 111.579 169.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 54.4 ttt85 -76.68 -34.91 58.2 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.185 0.994 . . . . 0.0 113.607 -174.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -136.44 166.82 22.6 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 126.59 1.956 . . . . 0.0 111.696 -176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -91.5 155.99 18.01 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.314 1.046 . . . . 0.0 110.918 169.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -84.22 -4.95 59.16 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 114.994 1.479 . . . . 0.0 114.994 -174.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -72.63 138.34 46.67 Favored 'General case' 0 CA--C 1.545 0.768 0 O-C-N 121.234 -0.916 . . . . 0.0 111.174 170.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -142.88 168.17 20.34 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.738 1.215 . . . . 0.0 112.841 -176.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.7 tp -141.32 153.92 20.2 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 125.839 1.656 . . . . 0.0 110.453 174.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 35.6 m -78.78 -11.88 13.29 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -175.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 31.6 p -80.82 150.59 29.1 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.972 1.309 . . . . 0.0 113.059 -178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--O 1.254 1.334 0 C-N-CA 125.172 1.389 . . . . 0.0 113.537 177.196 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.596 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.9 m -78.42 49.22 0.83 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.867 1.667 . . . . 0.0 114.181 -173.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -77.54 138.52 39.23 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 125.09 1.356 . . . . 0.0 111.544 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 55.89 176.57 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.627 2.371 . . . . 0.0 114.632 -169.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -71.49 155.86 40.1 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.255 1.422 . . . . 0.0 111.812 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -66.72 -28.42 68.41 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.368 1.067 . . . . 0.0 113.547 -175.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -146.95 172.35 13.83 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.692 1.597 . . . . 0.0 111.681 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 41.9 p -72.08 149.25 45.0 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.839 0.856 . . . . 0.0 112.712 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -89.45 170.38 10.57 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.356 1.462 . . . . 0.0 111.584 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -58.02 148.91 24.63 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.4 t -136.96 162.1 34.2 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.441 1.496 . . . . 0.0 110.692 169.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 53.3 p -53.84 -36.69 62.83 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.521 1.128 . . . . 0.0 113.53 -174.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -66.0 -36.56 83.62 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.161 0.984 . . . . 0.0 112.84 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -75.24 -41.36 57.67 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.381 -0.824 . . . . 0.0 111.202 174.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.15 -38.79 88.95 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.075 0.95 . . . . 0.0 111.992 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -72.18 -32.45 66.84 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 118.796 0.725 . . . . 0.0 112.739 175.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -69.42 -38.07 77.71 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 118.745 0.702 . . . . 0.0 112.403 172.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.72 -36.01 77.89 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 119.153 0.888 . . . . 0.0 112.22 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -67.2 -41.8 85.21 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 121.093 -1.004 . . . . 0.0 112.291 172.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -39.31 92.52 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.803 0.841 . . . . 0.0 111.855 172.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 61.2 m -61.62 -49.29 77.18 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.749 1.22 . . . . 0.0 110.904 174.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -64.66 -45.51 86.42 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.737 0.815 . . . . 0.0 112.952 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -70.26 -23.35 62.88 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 121.057 -1.027 . . . . 0.0 113.269 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 16.7 tpt180 -78.64 -42.44 28.76 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.607 1.163 . . . . 0.0 112.071 171.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 55.5 t-20 -145.86 113.74 6.47 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.342 1.457 . . . . 0.0 110.949 176.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtt85 -82.52 -9.95 59.2 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -134.89 59.79 36.87 Favored Pre-proline 0 CA--C 1.55 0.976 0 C-N-CA 124.813 1.245 . . . . 0.0 112.854 -178.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -67.05 146.83 78.4 Favored 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 122.719 2.28 . . . . 0.0 111.512 172.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -66.47 155.19 38.24 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.716 0.806 . . . . 0.0 111.106 169.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 6.9 mtm -58.45 -29.64 66.32 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.999 -1.063 . . . . 0.0 113.241 178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 89.5 p -70.05 -37.92 75.68 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.533 -0.729 . . . . 0.0 112.647 171.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 58.1 m -66.1 -42.08 89.74 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.967 0.907 . . . . 0.0 110.914 172.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 mtt180 -59.97 -39.38 85.46 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 123.88 0.872 . . . . 0.0 111.669 174.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -68.14 -41.78 81.12 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.762 0.825 . . . . 0.0 112.549 175.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -62.3 -45.25 94.11 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.46 1.027 . . . . 0.0 111.928 174.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.0 pp -70.55 -25.58 27.0 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 119.607 1.094 . . . . 0.0 112.472 177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.3 -44.74 86.95 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.199 0.909 . . . . 0.0 110.846 169.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 51.4 t -59.59 -45.4 94.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.013 0.925 . . . . 0.0 111.195 172.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.0 m0 -68.25 -32.58 72.86 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.121 0.785 . . . . 0.0 113.121 -177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.94 -4.81 58.34 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.96 1.304 . . . . 0.0 113.882 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 54.6 t30 59.74 26.34 15.45 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 126.978 2.111 . . . . 0.0 114.987 -172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.26 168.12 13.49 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 120.928 -1.108 . . . . 0.0 111.532 168.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 34.6 m -87.28 138.56 31.38 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.022 1.329 . . . . 0.0 108.949 171.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.84 -31.44 72.46 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 120.926 -1.109 . . . . 0.0 113.848 -173.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.05 76.72 Favored 'General case' 0 CA--C 1.545 0.753 0 O-C-N 121.538 -0.726 . . . . 0.0 112.455 172.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -69.31 -35.69 76.23 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.006 0.922 . . . . 0.0 111.484 173.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.33 -40.71 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.182 0.993 . . . . 0.0 111.64 170.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.7 ttm180 -59.85 -42.63 94.07 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.022 -1.049 . . . . 0.0 111.879 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 71.8 t -66.3 -36.14 76.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 124.055 0.942 . . . . 0.0 111.911 173.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 68.3 t90 -61.09 -47.46 86.2 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.265 0.938 . . . . 0.0 111.559 173.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -63.44 -38.98 93.25 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.582 0.628 . . . . 0.0 112.377 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -59.24 -42.18 90.5 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.054 0.843 . . . . 0.0 112.207 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 26.0 m-80 -69.85 -42.85 73.02 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.513 0.725 . . . . 0.0 112.172 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 8.0 tpp180 -59.55 -42.23 91.91 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.326 1.05 . . . . 0.0 112.0 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -62.76 -43.87 97.68 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.982 0.913 . . . . 0.0 112.266 175.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.02 -34.43 77.98 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.359 0.664 . . . . 0.0 112.734 177.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -74.84 -45.1 45.51 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.433 1.093 . . . . 0.0 112.521 174.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 47.9 t90 -68.53 -43.16 77.32 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.172 1.389 . . . . 0.0 113.014 -177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.53 -4.1 58.98 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.823 1.249 . . . . 0.0 113.505 177.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt 58.51 163.5 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 128.274 2.63 . . . . 0.0 114.586 -174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -64.53 -38.64 91.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.341 -0.85 . . . . 0.0 111.478 169.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -143.24 136.16 27.79 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 126.171 1.789 . . . . 0.0 109.712 169.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.52 139.88 39.45 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.276 1.43 . . . . 0.0 112.96 -178.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -148.66 18.88 1.03 Allowed 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 125.24 1.416 . . . . 0.0 113.054 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.91 162.14 39.82 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 126.465 1.906 . . . . 0.0 111.886 -174.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 29.6 m -130.54 156.59 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 125.744 1.618 . . . . 0.0 111.755 176.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 19.4 m -68.91 138.25 54.5 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.574 1.149 . . . . 0.0 111.974 -178.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.3 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.392 2.277 . . . . 0.0 115.212 176.818 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 38.6 m -126.99 -18.02 4.73 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.611 1.165 . . . . 0.0 114.135 -172.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.6 pm0 -73.41 140.27 46.45 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.51 1.524 . . . . 0.0 113.389 -172.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . 0.276 9.4 ptp180 48.31 26.43 1.09 Allowed 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 127.744 2.418 . . . . 0.0 116.865 177.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.0 mtp180 -78.42 61.57 2.86 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.821 1.649 . . . . 0.0 113.262 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -60.15 -29.69 68.82 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.995 0.918 . . . . 0.0 112.798 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -69.98 -20.47 63.3 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 125.256 1.423 . . . . 0.0 113.863 175.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 86.7 m -85.58 -11.66 53.46 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 125.117 1.367 . . . . 0.0 112.657 177.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 18.3 t60 -62.72 158.14 19.3 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 120.942 -1.099 . . . . 0.0 112.679 175.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -61.96 148.23 44.41 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.083 0.953 . . . . 0.0 112.28 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 6.5 t -115.59 159.5 21.21 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.367 1.067 . . . . 0.0 111.789 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 23.1 t -58.46 -35.78 72.68 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.327 1.051 . . . . 0.0 113.665 -169.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -66.17 -35.47 80.54 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.071 -1.018 . . . . 0.0 112.553 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.1 mt-30 -68.57 -45.36 72.28 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.626 -0.671 . . . . 0.0 110.55 174.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.74 -36.25 83.7 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.043 0.937 . . . . 0.0 112.012 178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 62.0 mt-30 -72.41 -37.76 68.56 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.616 0.766 . . . . 0.0 112.771 175.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -64.53 -35.52 81.24 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 119.581 1.082 . . . . 0.0 111.329 173.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 40.2 mt -70.15 -45.24 67.19 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.882 0.873 . . . . 0.0 111.572 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.54 -33.91 77.02 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.863 0.865 . . . . 0.0 112.705 175.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.57 -45.46 53.18 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.465 1.106 . . . . 0.0 112.771 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 3.2 t -67.4 -34.63 77.64 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 121.212 -0.93 . . . . 0.0 111.673 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -60.16 -35.27 74.96 Favored 'General case' 0 CA--C 1.541 0.624 0 N-CA-C 113.201 0.815 . . . . 0.0 113.201 175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -97.18 -2.19 43.44 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 115.15 1.537 . . . . 0.0 115.15 -177.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.8 mmt-85 -122.55 -23.31 5.2 Favored 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 114.497 1.295 . . . . 0.0 114.497 178.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.26 70.02 1.3 Allowed 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 126.044 1.737 . . . . 0.0 107.978 169.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -48.61 126.69 12.2 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.642 1.577 . . . . 0.0 112.415 -168.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 48.82 67.53 4.42 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 125.89 1.676 . . . . 0.0 112.813 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -61.42 149.27 90.3 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 124.069 3.179 . . . . 0.0 113.987 -169.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -67.34 151.89 46.66 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.699 169.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -56.03 -28.48 57.55 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.858 1.263 . . . . 0.0 113.294 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 5.4 m -64.78 -44.12 91.02 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.996 0.918 . . . . 0.0 111.49 172.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 35.6 m -69.3 -40.89 77.42 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.653 1.181 . . . . 0.0 110.956 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -57.18 -40.37 77.19 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.491 0.716 . . . . 0.0 112.083 173.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -68.63 -40.72 80.2 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.488 0.585 . . . . 0.0 112.401 176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -63.64 -45.19 91.34 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.093 -1.004 . . . . 0.0 111.917 174.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -69.75 -24.84 27.31 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.697 0 O-C-N 120.93 -1.106 . . . . 0.0 112.344 176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.27 -44.97 82.07 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 119.263 0.938 . . . . 0.0 111.081 170.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 52.4 t -58.35 -44.69 88.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 124.296 1.039 . . . . 0.0 111.111 171.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 40.6 m0 -69.45 -32.02 70.71 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.6 p -88.87 -3.27 58.79 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 125.115 1.366 . . . . 0.0 113.778 173.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 42.8 m-80 54.99 32.79 18.85 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 126.549 1.939 . . . . 0.0 114.072 -170.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.58 168.96 10.53 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.167 1.787 . . . . 0.0 111.749 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 88.6 m -88.68 141.19 28.72 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.079 0.952 . . . . 0.0 109.867 169.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -27.94 69.75 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.31 -38.87 68.59 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.567 -0.708 . . . . 0.0 112.388 174.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -64.97 -37.54 87.98 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.61 1.164 . . . . 0.0 111.318 173.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.46 -42.21 89.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 124.291 1.036 . . . . 0.0 111.857 171.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.6 ttm105 -60.82 -39.64 89.78 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.016 -1.053 . . . . 0.0 112.04 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -64.84 -36.81 78.59 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.108 0.963 . . . . 0.0 111.743 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 73.9 t90 -63.08 -45.38 92.37 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 119.791 1.178 . . . . 0.0 111.854 172.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -65.15 -33.53 76.23 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 119.17 0.896 . . . . 0.0 112.94 176.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -63.16 -43.05 99.39 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.676 0.79 . . . . 0.0 111.931 170.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -67.47 -35.56 79.42 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.446 0.699 . . . . 0.0 112.233 174.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -64.52 -39.58 94.04 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.534 1.134 . . . . 0.0 111.843 174.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 17.6 mmt180 -66.84 -36.16 81.7 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 124.127 0.971 . . . . 0.0 113.158 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.86 72.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 118.878 0.763 . . . . 0.0 111.537 173.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -62.23 -36.65 82.63 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.406 1.082 . . . . 0.0 112.741 176.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 48.6 t90 -55.86 -37.28 68.56 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.222 1.009 . . . . 0.0 112.756 175.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -92.77 -35.91 13.17 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -99.33 -21.81 15.87 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -169.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 ttm-85 -118.83 -34.79 3.84 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 125.528 1.531 . . . . 0.0 113.101 -177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -113.43 -177.81 3.22 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 125.726 1.61 . . . . 0.0 112.115 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -89.66 138.27 31.62 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.649 1.18 . . . . 0.0 112.329 -178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -123.7 6.67 8.81 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 -170.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 15.4 tt -66.36 145.01 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 O-C-N 121.283 -0.886 . . . . 0.0 112.432 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 8.6 p -147.3 153.17 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.787 0 C-N-CA 125.634 1.573 . . . . 0.0 110.687 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 56.11 50.38 13.73 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 125.22 1.408 . . . . 0.0 112.437 -178.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--O 1.251 1.163 0 C-N-CA 126.459 1.903 . . . . 0.0 112.698 179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.1 m -78.96 44.59 0.56 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.723 1.609 . . . . 0.0 114.366 -171.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -130.07 8.7 5.21 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.243 1.817 . . . . 0.0 113.095 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -131.3 154.11 48.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.022 1.729 . . . . 0.0 111.809 -179.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 30.4 mmm180 -86.11 160.7 19.19 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.533 1.533 . . . . 0.0 111.95 176.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -69.68 149.42 48.07 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.746 0.819 . . . . 0.0 111.627 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 ttp180 -79.99 164.22 23.64 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.206 1.003 . . . . 0.0 112.559 -179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 14.2 t -139.57 -166.17 2.01 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 126.046 1.738 . . . . 0.0 110.586 175.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 29.5 t60 -63.03 156.29 25.18 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 120.819 -1.175 . . . . 0.0 112.331 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -65.4 142.87 58.05 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.634 0.774 . . . . 0.0 112.56 -175.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 14.6 t -100.23 154.15 18.69 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.102 1.361 . . . . 0.0 112.02 -179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 21.8 m -49.27 -34.51 15.45 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.617 1.567 . . . . 0.0 113.666 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.29 -29.13 69.67 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.489 1.116 . . . . 0.0 113.204 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 mt-30 -80.0 -44.95 19.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.427 1.091 . . . . 0.0 111.016 175.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -70.84 -35.73 72.58 Favored 'General case' 0 CA--C 1.541 0.618 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 -177.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -71.11 -29.72 65.62 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 121.46 -0.775 . . . . 0.0 112.575 176.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -70.11 -40.13 75.08 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.497 0.719 . . . . 0.0 111.543 173.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 74.4 mt -60.99 -42.22 98.02 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.607 0.763 . . . . 0.0 111.972 171.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -68.13 -43.01 79.29 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.442 -0.786 . . . . 0.0 112.576 174.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.11 -44.97 94.15 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.265 -0.897 . . . . 0.0 112.053 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 2.8 t -69.49 -30.91 68.89 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.359 -0.838 . . . . 0.0 112.257 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -63.71 -52.65 59.62 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.239 0.927 . . . . 0.0 111.302 169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -67.18 -25.71 66.28 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.242 -0.911 . . . . 0.0 112.912 -177.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -75.16 -40.04 59.88 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.661 1.184 . . . . 0.0 113.014 170.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -147.97 91.39 1.93 Allowed 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.887 1.275 . . . . 0.0 111.424 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 63.6 mtt85 -70.21 153.36 43.19 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.933 0.893 . . . . 0.0 111.005 176.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 49.99 59.32 16.74 Favored Pre-proline 0 CA--C 1.556 1.203 0 C-N-CA 124.636 1.174 . . . . 0.0 112.471 -170.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -61.93 146.33 96.42 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.574 2.849 . . . . 0.0 112.582 -179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -73.31 159.58 33.14 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.391 1.076 . . . . 0.0 111.697 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -31.11 71.54 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.084 -1.01 . . . . 0.0 112.927 -174.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 23.0 p -66.7 -42.56 86.24 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.428 1.091 . . . . 0.0 112.304 170.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 14.4 m -61.67 -46.59 89.06 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.227 1.011 . . . . 0.0 110.866 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -58.37 -42.96 88.18 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.049 0.94 . . . . 0.0 111.947 175.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -66.69 -39.72 88.23 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.43 0.692 . . . . 0.0 112.519 178.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.21 -47.06 78.19 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 121.418 -0.801 . . . . 0.0 111.937 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -68.56 -24.79 29.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 O-C-N 121.036 -1.04 . . . . 0.0 112.351 178.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.82 -44.39 85.77 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.756 0.822 . . . . 0.0 111.67 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.8 m -71.63 -30.34 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 121.075 -1.016 . . . . 0.0 112.577 175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.4 m0 -72.47 -33.4 66.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.243 0.831 . . . . 0.0 113.243 176.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 73.5 p -94.37 -2.59 51.81 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.76 1.224 . . . . 0.0 113.928 175.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 53.0 t30 54.6 46.52 24.62 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.667 1.987 . . . . 0.0 113.741 -173.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.31 169.45 8.62 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 127.424 2.29 . . . . 0.0 111.974 176.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 5.6 t -93.8 138.04 32.4 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.524 1.13 . . . . 0.0 110.594 168.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.59 -28.51 68.55 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 123.997 0.919 . . . . 0.0 112.907 -174.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.29 88.62 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.754 0.822 . . . . 0.0 112.414 176.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -72.81 -35.36 67.32 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 121.479 -0.763 . . . . 0.0 111.56 174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 45.8 t -61.15 -43.48 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 124.104 0.962 . . . . 0.0 111.728 172.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -59.34 -45.45 91.34 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.498 1.119 . . . . 0.0 111.695 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.2 t -63.44 -41.07 91.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 C-N-CA 123.703 0.801 . . . . 0.0 111.48 173.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 39.0 t90 -63.04 -47.23 83.9 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 119.098 0.863 . . . . 0.0 112.111 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -69.08 -30.16 68.42 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 119.294 0.952 . . . . 0.0 112.999 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.46 -44.81 89.91 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 119.795 1.179 . . . . 0.0 111.256 170.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -64.3 -43.67 94.0 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.665 1.186 . . . . 0.0 111.562 176.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -47.94 83.81 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 121.358 -0.839 . . . . 0.0 111.08 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 -61.08 -39.64 90.65 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.488 0.715 . . . . 0.0 112.486 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.25 -35.43 80.33 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 176.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -79.16 -41.36 28.64 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.993 0.917 . . . . 0.0 112.79 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -67.68 -44.58 77.43 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.504 1.122 . . . . 0.0 112.427 -179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.1 ttt180 -94.23 14.48 20.08 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.337 1.455 . . . . 0.0 114.126 -177.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -54.98 -18.76 5.48 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 127.328 2.251 . . . . 0.0 113.952 172.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -60.04 -17.81 41.84 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 127.034 2.134 . . . . 0.0 114.979 169.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 53.05 74.66 0.28 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.614 1.966 . . . . 0.0 113.837 178.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -60.96 137.88 58.2 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.918 0.887 . . . . 0.0 112.232 172.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -88.22 -13.11 41.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 46.9 pt -84.65 -6.96 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 N-CA-C 114.399 1.259 . . . . 0.0 114.399 -174.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 32.9 m -99.14 5.36 9.79 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 125.125 1.37 . . . . 0.0 114.243 -176.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 47.6 p -72.7 155.64 39.77 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.605 1.162 . . . . 0.0 113.207 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 125.611 1.564 . . . . 0.0 114.108 177.456 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.646 0 N-CA-C 112.101 -0.4 . . . . 0.0 112.101 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 78.3 p -146.98 162.02 39.61 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.486 1.514 . . . . 0.0 112.434 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -89.09 149.86 23.0 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.837 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -90.07 8.71 31.32 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -176.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -129.57 145.18 51.5 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.263 1.825 . . . . 0.0 112.055 -172.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -109.93 159.88 16.88 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.692 1.597 . . . . 0.0 111.154 171.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmm-85 -75.76 -2.97 32.33 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.393 1.077 . . . . 0.0 113.777 174.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 38.3 p -138.89 168.45 19.8 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 127.461 2.304 . . . . 0.0 111.41 -176.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.83 -34.6 69.44 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.515 1.126 . . . . 0.0 113.357 173.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -143.38 159.92 41.5 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 126.095 1.758 . . . . 0.0 111.37 174.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.9 t -122.94 162.49 22.18 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.579 1.151 . . . . 0.0 111.37 168.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.4 m -55.52 -35.77 66.0 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.836 1.254 . . . . 0.0 114.178 -170.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.56 -36.78 79.24 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.565 -0.709 . . . . 0.0 112.38 176.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -70.47 -41.62 72.5 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 123.786 0.834 . . . . 0.0 110.957 175.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.8 mt -64.73 -38.82 92.3 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.245 1.018 . . . . 0.0 111.854 176.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 25.8 tt0 -68.99 -40.24 78.88 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.066 0.947 . . . . 0.0 112.211 175.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -70.63 -32.65 70.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.237 -0.915 . . . . 0.0 112.06 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.9 mt -69.36 -37.24 77.53 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.186 -0.947 . . . . 0.0 112.513 170.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -63.15 -42.39 99.45 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 119.468 1.031 . . . . 0.0 111.867 170.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.79 -41.65 98.0 Favored 'General case' 0 CA--C 1.543 0.692 0 O-C-N 121.523 -0.736 . . . . 0.0 111.372 171.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 97.6 m -64.91 -36.93 85.94 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.487 1.115 . . . . 0.0 112.594 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.0 t80 -63.77 -37.8 88.72 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.134 0.974 . . . . 0.0 111.691 171.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -73.41 -25.28 60.47 Favored 'General case' 0 CA--C 1.544 0.732 0 O-C-N 121.244 -0.91 . . . . 0.0 113.404 173.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 52.8 mtt180 -71.09 -45.47 63.66 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.096 0.958 . . . . 0.0 111.076 169.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 61.8 t-20 -154.96 123.82 6.17 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 125.55 1.54 . . . . 0.0 111.405 175.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 93.2 mtt180 -83.18 -14.37 53.57 Favored 'General case' 0 N--CA 1.481 1.086 0 N-CA-C 114.315 1.228 . . . . 0.0 114.315 177.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -134.65 55.89 15.79 Favored Pre-proline 0 CA--C 1.554 1.1 0 C-N-CA 125.505 1.522 . . . . 0.0 112.953 -175.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -68.81 149.94 73.3 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 122.974 2.449 . . . . 0.0 112.2 176.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.28 168.08 20.64 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.857 0.863 . . . . 0.0 111.912 170.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.9 mmt -64.7 -27.96 69.27 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 114.047 1.128 . . . . 0.0 114.047 -173.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 58.0 p -76.61 -35.38 58.13 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.49 1.041 . . . . 0.0 112.243 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 69.9 m -64.66 -43.03 94.91 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.607 -0.683 . . . . 0.0 110.716 170.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -60.48 -39.32 87.22 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.744 0.818 . . . . 0.0 112.187 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -69.97 -37.47 75.78 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -64.54 -47.8 77.42 Favored 'General case' 0 N--CA 1.471 0.58 0 O-C-N 121.171 -0.956 . . . . 0.0 111.702 173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 pp -68.62 -23.26 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 O-C-N 121.025 -1.047 . . . . 0.0 112.328 177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.73 73.43 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 119.034 0.834 . . . . 0.0 111.787 172.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.1 m -68.46 -29.17 43.16 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 O-C-N 120.824 -1.172 . . . . 0.0 112.504 176.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 41.9 m0 -72.24 -29.08 63.58 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.735 0.814 . . . . 0.0 112.99 174.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.5 p -94.63 -0.95 54.04 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 125.231 1.412 . . . . 0.0 113.812 173.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.44 51.73 13.65 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.341 1.856 . . . . 0.0 113.236 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 97.4 mt -124.6 172.68 9.05 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 127.625 2.37 . . . . 0.0 110.722 174.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 44.8 p -88.61 153.93 20.73 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.339 0.655 . . . . 0.0 110.185 168.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -23.31 67.07 Favored 'General case' 0 N--CA 1.473 0.713 0 O-C-N 121.139 -0.975 . . . . 0.0 112.784 173.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.24 -45.81 58.63 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.807 0.843 . . . . 0.0 112.092 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -61.31 -40.45 94.24 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 121.505 -0.747 . . . . 0.0 111.495 173.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 44.5 t -62.45 -44.56 99.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 123.369 0.668 . . . . 0.0 111.76 174.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 41.6 ttm105 -62.55 -41.83 99.15 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.472 1.033 . . . . 0.0 112.13 176.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 66.0 t -63.61 -40.88 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.746 0.818 . . . . 0.0 111.188 173.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -63.63 -47.04 82.98 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.786 0.721 . . . . 0.0 111.973 176.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -63.63 -38.52 91.44 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.104 0.865 . . . . 0.0 112.264 177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.6 tttm -61.45 -43.04 99.56 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.763 0.825 . . . . 0.0 112.041 174.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -67.46 -45.23 76.55 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 123.233 0.613 . . . . 0.0 111.782 174.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -60.68 -40.86 93.73 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.426 1.09 . . . . 0.0 112.116 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -59.29 -47.2 86.29 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.221 1.009 . . . . 0.0 111.262 174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.79 -32.6 69.77 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.761 1.023 . . . . 0.0 113.761 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -66.54 -22.77 66.16 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.453 1.101 . . . . 0.0 113.038 174.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 24.6 t90 -90.8 -52.79 4.69 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.272 1.029 . . . . 0.0 111.332 168.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.69 55.51 3.46 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 126.761 2.025 . . . . 0.0 112.008 177.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 158.84 6.55 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 126.392 1.877 . . . . 0.0 113.57 -177.145 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -66.02 149.95 49.45 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.03 0.932 . . . . 0.0 110.584 169.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 57.21 27.74 14.03 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.503 1.521 . . . . 0.0 114.469 -177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 45.6 tt0 -65.12 135.78 55.92 Favored 'General case' 0 CA--C 1.546 0.791 0 O-C-N 120.931 -1.106 . . . . 0.0 111.549 173.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -84.63 162.88 19.58 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.623 1.169 . . . . 0.0 113.297 -177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 55.6 mt -123.97 135.65 62.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 125.56 1.544 . . . . 0.0 108.868 175.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 34.2 m -88.2 3.37 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -170.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 10.7 t -147.34 162.43 38.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.526 1.53 . . . . 0.0 111.965 -177.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 126.56 1.944 . . . . 0.0 112.595 -178.464 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.616 0 N-CA-C 111.785 -0.526 . . . . 0.0 111.785 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 12.6 t 62.69 157.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 126.957 2.103 . . . . 0.0 115.524 -173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -90.88 -9.21 47.11 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.357 1.463 . . . . 0.0 112.772 172.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -66.97 151.54 47.44 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.736 1.214 . . . . 0.0 112.52 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 5.07 2.73 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 125.904 1.682 . . . . 0.0 113.743 177.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -67.08 154.57 40.89 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 126.474 1.91 . . . . 0.0 111.711 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -122.15 140.5 52.48 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.146 1.378 . . . . 0.0 112.45 -173.053 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 16.6 m -78.39 146.18 34.74 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.042 1.337 . . . . 0.0 111.179 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 32.5 t60 -142.25 153.5 44.0 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.195 1.398 . . . . 0.0 111.336 173.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -79.08 134.39 36.75 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.653 1.181 . . . . 0.0 112.586 -174.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 43.1 p -81.57 165.95 20.67 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.831 0.853 . . . . 0.0 111.084 168.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 50.3 p -57.98 -35.12 70.74 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 120.986 -1.071 . . . . 0.0 112.72 172.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.87 -42.13 70.46 Favored 'General case' 0 CA--C 1.537 0.457 0 C-N-CA 124.072 0.949 . . . . 0.0 111.891 175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -64.71 -38.9 92.58 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.488 -0.758 . . . . 0.0 112.077 175.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.72 -39.65 91.39 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.599 0.76 . . . . 0.0 112.039 173.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -65.21 -41.53 94.38 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 118.648 0.658 . . . . 0.0 111.929 174.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -65.67 -40.0 91.93 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.59 -0.694 . . . . 0.0 112.123 174.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 15.5 mt -67.43 -37.24 82.7 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 119.1 0.864 . . . . 0.0 112.475 175.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -64.64 -39.66 94.09 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 119.383 0.992 . . . . 0.0 112.434 172.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.81 -40.42 91.85 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 121.063 -1.023 . . . . 0.0 111.587 172.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -62.25 -43.28 99.19 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.791 1.237 . . . . 0.0 111.13 176.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -63.18 -43.21 98.85 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.086 0.954 . . . . 0.0 112.281 174.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.32 -29.14 70.23 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.37 -0.831 . . . . 0.0 113.013 178.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -80.54 -39.61 27.45 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.587 1.155 . . . . 0.0 113.312 172.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -145.78 118.75 8.77 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 124.679 1.192 . . . . 0.0 111.5 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 67.7 mtt85 -92.83 -2.95 55.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.278 1.431 . . . . 0.0 113.733 -177.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -143.61 45.68 0.6 Allowed Pre-proline 0 CA--C 1.556 1.19 0 C-N-CA 126.158 1.783 . . . . 0.0 113.625 -175.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -64.55 146.1 88.56 Favored 'Trans proline' 0 C--N 1.355 0.878 0 C-N-CA 122.619 2.213 . . . . 0.0 112.454 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -77.44 163.52 26.29 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.175 0.99 . . . . 0.0 111.314 172.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 14.8 mmt -63.47 -30.27 71.42 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.852 -1.155 . . . . 0.0 113.478 -170.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 40.0 p -67.36 -38.44 84.81 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.147 0.979 . . . . 0.0 112.461 171.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -68.76 -43.38 75.91 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.851 0.86 . . . . 0.0 110.644 174.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 63.8 mtt180 -60.24 -38.08 82.37 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.622 0.769 . . . . 0.0 111.819 174.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -69.58 -41.83 75.3 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.276 0.63 . . . . 0.0 112.648 176.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -62.51 -45.52 92.61 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 119.613 1.097 . . . . 0.0 111.741 174.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -69.57 -25.59 29.13 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 CA-C-N 119.543 1.065 . . . . 0.0 112.422 176.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.58 -44.56 81.88 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 119.351 0.978 . . . . 0.0 111.253 170.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.62 -44.37 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 O-C-N 121.007 -1.058 . . . . 0.0 111.072 171.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -70.74 -30.9 67.55 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 53.8 p -93.29 -2.75 54.64 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.068 1.347 . . . . 0.0 114.002 175.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.18 58.68 4.14 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 126.855 2.062 . . . . 0.0 113.376 -172.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.36 170.43 11.93 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 127.88 2.472 . . . . 0.0 111.13 176.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 39.0 p -91.32 135.98 33.43 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.48 1.112 . . . . 0.0 110.487 169.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -62.86 -29.12 70.51 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 -174.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.49 -37.99 80.61 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.527 -0.733 . . . . 0.0 112.655 176.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 81.7 mtt85 -69.31 -39.0 78.53 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 121.478 -0.763 . . . . 0.0 111.384 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.58 -40.39 88.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 C-N-CA 123.459 0.704 . . . . 0.0 111.575 171.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -60.47 -45.57 93.22 Favored 'General case' 0 N--CA 1.474 0.734 0 O-C-N 121.14 -0.975 . . . . 0.0 111.778 175.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.29 -37.21 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 124.214 1.006 . . . . 0.0 111.651 174.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 71.0 t90 -62.65 -47.54 83.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.94 0.791 . . . . 0.0 111.394 175.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.1 -38.07 89.73 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 121.716 -0.615 . . . . 0.0 112.59 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.58 -42.59 92.85 Favored 'General case' 0 N--CA 1.476 0.85 0 CA-C-N 119.046 0.839 . . . . 0.0 111.738 173.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 -68.0 -43.72 78.22 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.751 0.821 . . . . 0.0 112.382 175.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.05 -41.76 90.41 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 118.621 0.646 . . . . 0.0 111.661 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 61.3 mtp85 -63.51 -40.36 96.86 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 124.47 1.108 . . . . 0.0 112.325 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.92 -45.27 93.31 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.206 0.912 . . . . 0.0 112.192 175.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 59.8 mttp -65.94 -37.96 87.38 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.051 0.941 . . . . 0.0 112.749 176.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.1 t90 -64.61 -45.49 86.67 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.538 1.135 . . . . 0.0 112.332 172.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 8.2 tpm_? -69.75 -30.17 67.7 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.875 1.27 . . . . 0.0 112.962 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 58.9 tptt -60.14 -35.25 74.87 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.853 1.261 . . . . 0.0 112.442 173.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 69.9 ttt-85 61.61 -31.76 0.08 Allowed 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 129.542 3.137 . . . . 0.0 117.733 171.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 59.76 10.86 2.21 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 127.361 2.264 . . . . 0.0 115.524 -178.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 50.61 37.47 16.37 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 126.693 1.997 . . . . 0.0 115.251 171.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -64.05 137.56 58.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.781 0.832 . . . . 0.0 112.372 177.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.6 pt -139.16 154.94 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 126.196 1.798 . . . . 0.0 111.062 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 14.4 p -145.88 145.8 19.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 125.125 1.37 . . . . 0.0 111.014 177.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 29.9 p -138.23 155.44 48.65 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.659 1.584 . . . . 0.0 112.072 -175.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.141 1.777 . . . . 0.0 112.527 178.112 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.625 0 N-CA-C 111.725 -0.55 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 94.7 p -79.23 169.65 17.81 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.827 1.251 . . . . 0.0 112.995 177.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 33.6 tp60 -66.27 -28.08 68.44 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 123.809 0.843 . . . . 0.0 112.795 177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 43.8 ttt85 52.23 49.9 19.58 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.67 1.988 . . . . 0.0 114.057 173.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -128.31 143.76 51.05 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 125.737 1.615 . . . . 0.0 112.582 174.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 7.8 pm0 -83.87 170.14 14.38 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.855 1.662 . . . . 0.0 110.963 168.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -66.3 133.57 50.83 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 121.101 -0.999 . . . . 0.0 110.775 173.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 62.2 p -125.81 148.23 49.19 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.598 1.559 . . . . 0.0 111.081 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 22.2 t60 -86.46 154.27 21.26 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.498 -0.751 . . . . 0.0 111.453 171.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -67.96 150.44 48.49 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.976 -0.452 . . . . 0.0 111.657 175.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 15.1 t -118.65 155.48 30.93 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 111.954 170.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 24.8 m -57.21 -30.98 65.02 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.92 1.288 . . . . 0.0 113.883 -171.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -66.77 -35.18 79.5 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.834 0.743 . . . . 0.0 112.643 176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.1 -46.81 55.26 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 123.776 0.83 . . . . 0.0 110.345 175.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.46 -38.42 89.77 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.285 1.034 . . . . 0.0 112.055 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -67.2 -39.41 86.31 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.862 0.865 . . . . 0.0 111.974 176.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.78 -33.0 66.0 Favored 'General case' 0 CA--C 1.541 0.616 0 O-C-N 121.432 -0.792 . . . . 0.0 112.101 177.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -69.13 -38.87 79.07 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 121.222 -0.924 . . . . 0.0 112.4 171.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -66.92 -37.36 84.2 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.392 -0.817 . . . . 0.0 111.85 173.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.76 -40.58 92.21 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 120.99 -1.069 . . . . 0.0 111.501 169.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 98.0 m -61.57 -43.4 98.92 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.093 0.957 . . . . 0.0 111.599 175.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 48.7 t80 -63.36 -37.45 87.31 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.414 0.686 . . . . 0.0 112.313 175.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -71.39 -35.02 70.9 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.337 -0.852 . . . . 0.0 112.831 175.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 46.7 mtm-85 -66.95 -43.63 82.65 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.56 1.144 . . . . 0.0 111.557 173.498 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -157.09 124.6 5.32 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.567 1.547 . . . . 0.0 111.545 171.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 80.8 mtt-85 -74.71 -14.11 60.69 Favored 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 114.023 1.12 . . . . 0.0 114.023 -178.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -128.01 64.28 65.0 Favored Pre-proline 0 CA--C 1.551 1.005 0 C-N-CA 126.731 2.012 . . . . 0.0 111.424 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -63.57 145.46 91.79 Favored 'Trans proline' 0 C--N 1.353 0.782 0 C-N-CA 122.957 2.438 . . . . 0.0 111.64 178.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -81.4 166.49 20.36 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 123.641 0.776 . . . . 0.0 111.479 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.64 -29.85 71.03 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.119 -1.613 . . . . 0.0 113.508 -173.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.0 p -69.78 -42.77 73.34 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.845 1.258 . . . . 0.0 111.828 171.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 5.3 m -58.21 -46.99 84.88 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.42 1.088 . . . . 0.0 110.949 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -63.77 -39.13 93.53 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.339 1.055 . . . . 0.0 111.909 178.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -70.55 -37.89 74.08 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.645 0.657 . . . . 0.0 112.772 177.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -64.56 -48.61 74.37 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.284 -0.885 . . . . 0.0 111.569 174.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.7 pp -67.88 -24.74 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 O-C-N 121.147 -0.971 . . . . 0.0 112.216 177.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.52 -47.5 75.72 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 119.037 0.835 . . . . 0.0 111.49 173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.45 -29.91 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 CA-C-N 119.571 1.078 . . . . 0.0 112.681 176.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -71.63 -27.64 63.23 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.1 p -98.3 0.44 45.6 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 125.552 1.541 . . . . 0.0 113.654 173.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.0 t30 56.52 25.53 9.88 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.988 2.115 . . . . 0.0 115.034 -172.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 98.6 mt -91.56 177.24 6.27 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 126.665 1.986 . . . . 0.0 111.415 172.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 47.3 p -97.61 152.72 18.77 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.197 0.999 . . . . 0.0 110.593 168.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.04 -25.75 68.25 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 121.166 -0.959 . . . . 0.0 113.021 178.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.7 -42.75 57.81 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.655 0.782 . . . . 0.0 112.31 175.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -63.68 -37.94 89.25 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.895 0.878 . . . . 0.0 111.464 173.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.53 -41.16 91.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.652 1.181 . . . . 0.0 112.161 171.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 42.2 ttm105 -62.53 -40.27 96.25 Favored 'General case' 0 N--CA 1.475 0.825 0 O-C-N 121.031 -1.043 . . . . 0.0 112.218 175.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 72.3 t -63.53 -41.29 92.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.62 0.768 . . . . 0.0 111.372 172.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 43.8 t90 -60.37 -46.32 90.35 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 118.713 0.688 . . . . 0.0 112.048 175.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -67.97 -37.1 81.12 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.194 0.813 . . . . 0.0 113.194 176.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -59.05 -41.16 87.24 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.166 0.893 . . . . 0.0 111.681 173.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -69.72 -48.56 59.1 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.578 0.751 . . . . 0.0 111.625 174.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -44.1 97.3 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-O 118.253 -0.88 . . . . 0.0 112.719 -177.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 48.5 ptt85 -65.08 -35.15 80.23 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.727 1.149 . . . . 0.0 112.437 178.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -44.74 76.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.399 0.679 . . . . 0.0 112.24 174.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -68.61 -30.2 68.88 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 123.543 0.737 . . . . 0.0 112.864 176.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 58.6 t90 -73.9 -42.39 60.73 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.601 1.16 . . . . 0.0 112.903 174.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.58 7.65 14.01 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 124.97 1.308 . . . . 0.0 114.058 -177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.58 158.89 38.02 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 126.547 1.939 . . . . 0.0 110.881 173.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -78.14 -29.06 48.57 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.77 1.026 . . . . 0.0 113.77 178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 59.15 -9.98 0.04 OUTLIER 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.037 2.535 . . . . 0.0 116.902 -179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -148.16 156.14 42.23 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 127.173 2.189 . . . . 0.0 109.852 175.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -78.45 50.62 0.96 Allowed 'General case' 0 CA--C 1.549 0.913 0 C-N-CA 125.44 1.496 . . . . 0.0 113.562 -174.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 20.4 tt -144.35 146.65 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 126.353 1.861 . . . . 0.0 110.661 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 58.4 t -111.96 136.96 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 125.452 1.501 . . . . 0.0 110.152 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 41.2 p -138.71 153.79 48.53 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.74 1.616 . . . . 0.0 111.767 -177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--O 1.251 1.17 0 C-N-CA 126.246 1.819 . . . . 0.0 112.546 179.835 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.702 0 N-CA-C 111.827 -0.509 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 31.5 t -148.63 144.35 27.13 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.044 1.337 . . . . 0.0 111.781 179.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -76.7 -21.8 54.83 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.01 0.924 . . . . 0.0 112.536 171.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ttp-105 -91.49 -43.14 9.87 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 125.267 1.427 . . . . 0.0 112.099 176.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ptt85 45.48 29.14 0.57 Allowed 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 127.562 2.345 . . . . 0.0 115.64 -179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 57.5 -16.36 0.02 OUTLIER 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 128.84 2.856 . . . . 0.0 117.524 -173.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 43.0 mtp180 58.43 175.46 0.06 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 128.163 2.585 . . . . 0.0 114.858 -177.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 22.5 p -132.84 162.02 32.64 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.245 1.818 . . . . 0.0 112.486 -171.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -68.15 159.84 30.24 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.858 1.263 . . . . 0.0 112.529 176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -64.26 146.83 53.69 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.069 0.948 . . . . 0.0 111.276 175.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 30.9 p -77.39 158.45 30.07 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 121.418 -0.801 . . . . 0.0 111.407 170.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 30.9 m -57.81 -33.51 68.66 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.224 -0.923 . . . . 0.0 112.057 174.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mp0 -71.24 -42.15 69.22 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.918 1.287 . . . . 0.0 112.068 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -61.75 -44.57 96.63 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 118.796 0.725 . . . . 0.0 111.585 173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.7 -42.77 95.04 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.57 0.748 . . . . 0.0 112.02 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -65.18 -41.76 94.29 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.272 0.629 . . . . 0.0 111.76 176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -66.49 -41.66 88.58 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.302 0.641 . . . . 0.0 111.799 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 mt -68.12 -38.39 82.18 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.654 0.782 . . . . 0.0 112.705 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 47.2 tp10 -65.52 -44.5 86.77 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.512 -0.743 . . . . 0.0 111.688 173.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.05 -39.65 94.54 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.248 0.619 . . . . 0.0 111.942 174.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -58.92 -47.72 84.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.368 1.467 . . . . 0.0 111.159 174.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 24.8 t80 -68.76 -40.09 79.93 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 112.546 0.572 . . . . 0.0 112.546 179.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -72.3 -31.98 66.18 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.195 -0.941 . . . . 0.0 113.268 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 79.3 ttt-85 -74.06 -38.83 63.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.486 1.114 . . . . 0.0 112.192 174.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -141.46 94.42 2.69 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.965 1.306 . . . . 0.0 110.363 178.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 18.6 mmt85 -63.11 144.69 56.68 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.42 0.688 . . . . 0.0 111.243 176.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 49.74 60.7 14.95 Favored Pre-proline 0 CA--C 1.55 0.975 0 C-N-CA 125.535 1.534 . . . . 0.0 113.944 177.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -60.11 151.45 72.68 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 123.564 2.843 . . . . 0.0 112.713 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -67.59 152.06 46.27 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.257 1.023 . . . . 0.0 111.288 173.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.8 mmt -59.57 -29.47 67.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.694 0.998 . . . . 0.0 113.694 -176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -76.87 -33.04 57.86 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.364 0.984 . . . . 0.0 112.549 172.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 28.3 m -64.44 -45.18 88.61 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 121.303 -0.873 . . . . 0.0 110.483 171.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 54.4 mtt180 -56.97 -39.15 74.07 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.289 1.036 . . . . 0.0 112.174 172.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -71.64 -35.05 70.27 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -69.54 -45.8 67.93 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.427 -0.796 . . . . 0.0 111.845 172.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.07 -23.5 28.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 O-C-N 121.039 -1.038 . . . . 0.0 112.368 178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.1 -47.08 81.42 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.991 0.916 . . . . 0.0 111.748 173.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.0 m -69.8 -28.95 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 120.75 -1.219 . . . . 0.0 112.631 176.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.0 m0 -73.85 -32.9 63.88 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.809 0.844 . . . . 0.0 113.186 175.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.3 p -88.27 -3.17 58.9 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.141 1.377 . . . . 0.0 113.665 173.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 54.75 53.04 11.09 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 126.648 1.979 . . . . 0.0 112.869 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 91.5 mt -124.66 168.95 12.45 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 127.445 2.298 . . . . 0.0 111.385 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 58.0 m -85.81 134.92 33.9 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.78 1.232 . . . . 0.0 109.915 174.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -37.48 84.06 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 -176.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.67 -39.22 91.11 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 119.308 0.958 . . . . 0.0 112.547 174.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -64.31 -39.93 94.9 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.528 1.131 . . . . 0.0 111.481 174.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.81 -43.11 93.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 125.188 1.395 . . . . 0.0 112.064 173.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -61.39 -39.26 90.04 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.374 1.069 . . . . 0.0 111.804 176.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 76.9 t -68.73 -37.71 77.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 124.005 0.922 . . . . 0.0 111.937 170.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.57 -45.6 91.36 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.759 1.163 . . . . 0.0 112.515 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -64.42 -36.53 84.45 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-N 118.987 0.812 . . . . 0.0 112.558 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -66.01 -40.38 91.07 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.798 0.839 . . . . 0.0 111.727 173.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -65.55 -41.91 92.46 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.325 1.05 . . . . 0.0 111.87 175.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -60.2 -47.24 86.8 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.755 1.222 . . . . 0.0 110.556 172.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 39.3 ttt180 -58.82 -42.66 89.71 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 118.819 0.736 . . . . 0.0 112.059 176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.27 -46.04 88.7 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.148 0.579 . . . . 0.0 112.241 176.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -62.12 -34.59 76.62 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.76 0.824 . . . . 0.0 113.022 174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 44.2 t90 -80.03 -39.41 29.95 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.437 1.095 . . . . 0.0 113.902 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 12.0 tpt180 -114.8 -23.45 9.17 Favored 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 116.261 1.949 . . . . 0.0 116.261 -168.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -117.87 -42.1 2.86 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -169.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -142.35 81.05 1.73 Allowed 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.401 1.48 . . . . 0.0 110.703 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -54.17 140.84 31.09 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.867 1.267 . . . . 0.0 112.59 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -84.05 149.85 25.98 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.178 0.991 . . . . 0.0 112.879 -174.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 23.8 t80 63.26 165.23 0.12 Allowed 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 127.28 2.232 . . . . 0.0 114.944 -174.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 47.9 pt -74.82 -14.51 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 -170.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 13.5 p -148.18 145.11 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.717 0 C-N-CA 125.575 1.55 . . . . 0.0 110.728 177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 40.5 p -113.97 1.51 14.72 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 -169.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.7 t70 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 126.155 1.782 . . . . 0.0 113.132 -178.576 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.675 0 N-CA-C 111.593 -0.603 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 19.2 m -99.56 3.81 45.59 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.715 1.606 . . . . 0.0 113.752 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -84.06 -1.77 55.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.192 1.797 . . . . 0.0 114.025 -176.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -63.36 148.85 47.28 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.602 1.561 . . . . 0.0 113.92 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 59.47 161.0 0.04 OUTLIER 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 127.764 2.426 . . . . 0.0 115.23 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 41.0 mt-30 -75.2 157.64 34.24 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.44 1.096 . . . . 0.0 112.563 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -131.52 156.22 46.08 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 125.936 1.694 . . . . 0.0 111.648 178.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 60.6 m -114.67 125.82 54.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 125.122 1.369 . . . . 0.0 109.767 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 33.5 t60 55.96 -179.31 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.013 0 C-N-CA 125.895 1.678 . . . . 0.0 113.344 -169.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.527 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 7.7 m-30 -63.51 136.32 57.49 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.607 1.163 . . . . 0.0 111.244 179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 47.1 p -74.5 166.78 22.94 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.817 0.847 . . . . 0.0 112.133 175.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 47.0 p -56.49 -34.7 67.19 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.383 -0.823 . . . . 0.0 112.612 170.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -70.38 -44.59 67.72 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.044 0.937 . . . . 0.0 111.853 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 90.7 mt-30 -64.96 -38.97 92.74 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.562 -0.711 . . . . 0.0 111.836 176.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 78.2 mt -67.55 -38.61 84.42 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.058 0.943 . . . . 0.0 112.304 173.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -65.89 -41.61 91.3 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 118.985 0.811 . . . . 0.0 111.769 174.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -63.9 -39.53 94.39 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.69 -0.631 . . . . 0.0 111.914 173.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 14.7 mt -67.86 -37.44 81.83 Favored 'General case' 0 CA--C 1.538 0.494 0 O-C-N 121.379 -0.826 . . . . 0.0 112.971 175.08 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -68.88 -36.85 78.58 Favored 'General case' 0 CA--C 1.543 0.675 0 O-C-N 121.102 -0.999 . . . . 0.0 111.898 174.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.2 -35.1 79.55 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.0 0.92 . . . . 0.0 111.933 170.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 92.8 m -68.92 -41.28 78.37 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.638 1.175 . . . . 0.0 111.168 174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 16.1 t80 -66.28 -42.88 87.79 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.168 0.894 . . . . 0.0 112.555 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -73.63 -17.8 61.12 Favored 'General case' 0 CA--C 1.545 0.779 0 O-C-N 120.986 -1.071 . . . . 0.0 113.366 177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -81.06 -40.85 23.52 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.74 1.216 . . . . 0.0 111.991 169.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -147.25 117.07 7.16 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.313 1.445 . . . . 0.0 110.526 170.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 89.5 mtm-85 -78.39 -18.19 55.39 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.707 1.203 . . . . 0.0 113.798 -177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -137.0 62.23 38.7 Favored Pre-proline 0 CA--C 1.55 0.968 0 C-N-CA 125.5 1.52 . . . . 0.0 111.743 -175.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -66.96 146.52 77.84 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.988 2.459 . . . . 0.0 111.45 175.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -76.19 161.72 28.56 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.755 0.822 . . . . 0.0 111.32 176.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.47 -15.51 62.71 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.824 1.416 . . . . 0.0 114.824 -172.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 66.8 m -82.95 -38.31 22.94 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.621 1.169 . . . . 0.0 111.872 168.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 25.0 m -64.17 -40.13 95.47 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.961 0.904 . . . . 0.0 110.761 174.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 65.6 mtt180 -62.22 -29.03 70.11 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.958 0.903 . . . . 0.0 112.696 171.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -76.02 -38.45 57.25 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.727 0.811 . . . . 0.0 112.71 174.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -65.18 -44.66 87.73 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.321 -0.862 . . . . 0.0 111.577 176.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.5 pp -67.86 -26.31 34.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 O-C-N 121.282 -0.886 . . . . 0.0 112.175 175.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.64 -49.7 76.72 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.802 1.183 . . . . 0.0 111.749 171.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -70.99 -29.54 37.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 O-C-N 121.159 -0.963 . . . . 0.0 112.813 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 46.2 m0 -73.24 -31.65 64.25 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 113.345 0.869 . . . . 0.0 113.345 175.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 75.1 p -96.02 -3.67 44.49 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 124.817 1.247 . . . . 0.0 113.885 176.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.9 t30 56.42 48.18 17.42 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 126.978 2.111 . . . . 0.0 113.795 -172.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 mp -105.9 163.57 12.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.69 2.396 . . . . 0.0 111.938 174.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 7.1 p -81.06 137.62 36.01 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.085 0.954 . . . . 0.0 111.233 169.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.23 -41.37 97.04 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -170.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.0 -35.39 69.45 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.181 -0.949 . . . . 0.0 112.341 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 48.7 ttt85 -69.75 -41.46 75.18 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.925 0.89 . . . . 0.0 111.386 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 1.2 p -75.73 -30.88 21.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 177.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -56.62 -38.89 72.72 Favored 'General case' 0 N--CA 1.479 1.014 0 CA-C-N 119.153 0.888 . . . . 0.0 112.543 172.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 96.2 t -76.47 -27.06 17.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 124.983 1.313 . . . . 0.0 112.508 175.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -59.86 -40.67 89.4 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 120.13 1.332 . . . . 0.0 112.552 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -64.87 -39.83 94.17 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 121.598 -0.689 . . . . 0.0 112.399 176.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttm -62.58 -42.47 99.58 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 123.762 0.825 . . . . 0.0 111.361 173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -66.42 -44.65 82.34 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.535 1.134 . . . . 0.0 112.438 178.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -46.24 89.24 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 124.947 1.299 . . . . 0.0 110.777 175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.89 -44.95 96.41 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.133 0.973 . . . . 0.0 111.602 176.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.2 -43.86 97.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.615 0.766 . . . . 0.0 112.577 177.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 87.9 mttt -66.42 -35.31 80.0 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.01 0.924 . . . . 0.0 112.982 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 30.0 t90 -72.8 -45.69 57.15 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.115 1.366 . . . . 0.0 113.121 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -88.19 -28.09 21.41 Favored 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 114.218 1.192 . . . . 0.0 114.218 -177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 62.2 tttm 43.21 -97.26 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 127.876 2.47 . . . . 0.0 113.925 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -82.42 81.18 8.36 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.417 1.487 . . . . 0.0 109.811 174.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -67.05 143.33 56.78 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.138 0.975 . . . . 0.0 110.733 170.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 28.8 mp0 -77.63 -21.6 52.01 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 -168.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 11.4 t80 54.39 29.12 10.44 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 126.179 1.792 . . . . 0.0 114.654 178.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 44.2 pt -75.25 153.43 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 124.851 1.261 . . . . 0.0 112.587 179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -77.57 152.3 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.352 1.061 . . . . 0.0 112.473 177.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 6.3 t -120.45 -10.76 9.23 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.986 1.315 . . . . 0.0 114.055 -178.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 C--O 1.254 1.298 0 C-N-CA 127.342 2.257 . . . . 0.0 114.781 -178.712 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.528 0 N-CA-C 112.006 -0.438 . . . . 0.0 112.006 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.7 m -66.33 149.61 50.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.537 1.135 . . . . 0.0 113.155 -178.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -69.84 155.31 40.74 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 123.812 0.845 . . . . 0.0 112.385 177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -108.92 23.67 14.21 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 125.681 1.592 . . . . 0.0 112.34 170.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -73.64 153.36 40.18 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 127.44 2.296 . . . . 0.0 112.503 -173.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -64.54 146.08 55.15 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.479 1.111 . . . . 0.0 112.056 169.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -122.59 165.86 15.77 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.851 2.06 . . . . 0.0 110.689 173.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 15.7 p -65.06 121.55 14.96 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.844 0.858 . . . . 0.0 111.744 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -139.94 -8.03 1.21 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 115.181 1.549 . . . . 0.0 115.181 -169.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -64.36 139.2 58.74 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 119.256 0.935 . . . . 0.0 111.431 177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 24.2 p -78.78 161.13 27.04 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-O 121.414 0.626 . . . . 0.0 111.811 175.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 60.9 p -60.2 -29.03 68.45 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.392 -0.817 . . . . 0.0 112.699 172.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -73.33 -44.24 59.26 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.839 0.856 . . . . 0.0 111.573 174.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -62.6 -44.59 95.92 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.798 0.839 . . . . 0.0 111.833 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.6 -39.93 92.11 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.346 0.658 . . . . 0.0 112.217 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -72.64 -32.56 65.98 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.788 0.722 . . . . 0.0 112.938 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.75 -35.39 80.6 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 119.143 0.883 . . . . 0.0 111.343 171.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 16.2 mt -75.33 -37.85 60.49 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 121.361 -0.837 . . . . 0.0 112.373 176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -61.28 -41.04 96.28 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.506 1.122 . . . . 0.0 111.808 170.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.46 -41.48 80.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.99 0.916 . . . . 0.0 112.031 173.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 51.0 m -58.74 -48.19 82.05 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.456 1.102 . . . . 0.0 111.38 177.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -61.44 -40.35 94.13 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.884 0.874 . . . . 0.0 113.033 -178.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -84.07 -27.08 28.52 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 -179.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 8.1 tpm_? -74.16 -35.62 64.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.348 1.059 . . . . 0.0 111.968 173.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -142.45 105.62 4.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 109.985 175.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -64.44 137.32 57.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.332 0.653 . . . . 0.0 111.357 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 28.2 p90 39.8 67.51 2.56 Favored Pre-proline 0 CA--C 1.556 1.201 0 C-N-CA 126.231 1.812 . . . . 0.0 114.148 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -53.51 145.94 44.72 Favored 'Trans proline' 0 C--N 1.354 0.866 0 C-N-CA 124.07 3.18 . . . . 0.0 114.6 -174.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -69.21 154.42 42.07 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.645 0.778 . . . . 0.0 110.364 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 11.2 mtm -67.52 -21.95 65.46 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 120.93 -1.106 . . . . 0.0 113.585 -170.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 25.8 p -67.78 -42.52 81.54 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.931 0.892 . . . . 0.0 111.634 168.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -65.04 -42.96 93.82 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.27 1.028 . . . . 0.0 111.03 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 79.6 mtt180 -57.13 -40.75 77.76 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.288 0.635 . . . . 0.0 112.243 173.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -69.28 -37.09 77.7 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.806 0.669 . . . . 0.0 112.806 177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.16 -46.57 76.94 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.167 -0.958 . . . . 0.0 111.947 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pp -68.34 -24.18 29.34 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 O-C-N 121.062 -1.023 . . . . 0.0 112.164 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.98 -47.37 80.65 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 119.334 0.97 . . . . 0.0 111.455 173.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.95 -30.15 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 120.915 -1.115 . . . . 0.0 112.633 176.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.5 m0 -73.05 -34.22 66.15 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.855 0.862 . . . . 0.0 113.13 175.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 41.3 p -87.17 -4.7 59.13 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 125.369 1.468 . . . . 0.0 113.583 173.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 56.07 35.09 25.0 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 126.511 1.925 . . . . 0.0 113.766 -171.324 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -99.92 166.43 11.07 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.435 1.894 . . . . 0.0 111.904 173.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.26 140.0 33.89 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.984 1.313 . . . . 0.0 109.805 172.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.33 -30.25 71.07 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 120.704 -1.247 . . . . 0.0 113.557 -178.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.24 -35.62 71.51 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.275 -0.891 . . . . 0.0 112.634 171.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 30.4 ttm105 -68.95 -36.0 77.42 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.88 1.272 . . . . 0.0 111.481 175.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 43.1 t -67.64 -41.74 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 125.029 1.332 . . . . 0.0 111.324 169.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -60.94 -38.54 86.19 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.006 -1.059 . . . . 0.0 111.899 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 55.9 t -65.66 -39.41 84.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.465 1.106 . . . . 0.0 111.859 170.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -60.36 -46.22 90.71 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 119.727 1.148 . . . . 0.0 111.534 173.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -68.7 -27.83 66.3 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtm? -65.42 -48.13 73.85 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.549 -1.344 . . . . 0.0 110.787 169.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -64.56 -39.39 93.66 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.661 0.784 . . . . 0.0 111.632 176.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -61.93 -45.82 92.03 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.909 1.284 . . . . 0.0 112.066 175.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 82.1 mtm180 -64.45 -37.87 89.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.793 0.837 . . . . 0.0 112.383 175.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.88 -46.46 84.83 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.672 0.669 . . . . 0.0 112.183 174.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -64.17 -37.7 88.39 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.52 -0.738 . . . . 0.0 112.825 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 89.7 t90 -63.87 -47.18 81.71 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.05 0.94 . . . . 0.0 111.936 175.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 77.9 ttt-85 -61.15 -36.76 80.66 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.771 1.228 . . . . 0.0 112.382 175.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 51.4 tttm -74.28 -13.34 60.75 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.849 1.66 . . . . 0.0 113.635 171.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 51.44 34.37 11.94 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 126.839 2.056 . . . . 0.0 112.521 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 53.4 -70.3 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.852 2.861 . . . . 0.0 115.095 -169.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -129.14 19.22 5.93 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 126.639 1.976 . . . . 0.0 112.702 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . 0.265 5.7 t80 66.29 160.22 0.14 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.35 2.66 . . . . 0.0 114.958 -169.55 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 1.7 pp -124.91 172.14 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 126.147 1.779 . . . . 0.0 113.321 -168.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.4 p -143.35 148.43 19.23 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 C-N-CA 125.493 1.517 . . . . 0.0 110.932 176.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 11.0 t -149.46 160.93 43.03 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.139 1.376 . . . . 0.0 111.487 178.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 C--O 1.253 1.243 0 C-N-CA 126.353 1.861 . . . . 0.0 112.64 -178.374 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.595 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 76.2 p -81.47 169.67 16.86 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.134 1.373 . . . . 0.0 112.717 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 57.02 25.15 10.37 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 126.059 1.744 . . . . 0.0 115.048 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -64.9 -4.1 4.13 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 126.527 1.931 . . . . 0.0 116.126 -171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -70.1 -29.42 66.38 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.776 1.63 . . . . 0.0 112.344 169.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -100.65 132.74 45.88 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 125.079 1.352 . . . . 0.0 110.625 175.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -142.16 168.8 18.87 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.532 1.533 . . . . 0.0 111.819 -170.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 25.3 p -70.53 153.89 42.44 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.67 1.188 . . . . 0.0 112.941 179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . 0.42 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 14.9 t-80 54.19 -162.38 0.13 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 125.735 1.614 . . . . 0.0 112.807 -171.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.42 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 50.2 m-85 -75.87 130.05 37.94 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.056 -1.027 . . . . 0.0 111.284 175.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 21.5 p -87.25 162.19 17.58 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 124.035 0.934 . . . . 0.0 111.859 171.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 32.2 p -58.01 -36.74 73.11 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.485 -0.759 . . . . 0.0 112.424 171.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.39 -38.78 71.46 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.858 0.863 . . . . 0.0 112.423 178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.0 -45.89 86.99 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 118.731 0.696 . . . . 0.0 111.365 173.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 90.7 mt -64.85 -39.42 93.53 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.485 0.714 . . . . 0.0 112.108 177.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -65.3 -41.93 93.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.767 0.827 . . . . 0.0 111.937 175.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -68.97 -34.97 76.18 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 119.236 0.926 . . . . 0.0 113.102 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 66.4 mt -65.73 -45.66 81.81 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 118.916 0.78 . . . . 0.0 111.608 172.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -66.75 -29.6 69.61 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.725 0.81 . . . . 0.0 112.906 176.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.34 -50.38 14.43 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 124.049 0.94 . . . . 0.0 112.32 174.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 5.9 t -63.0 -34.24 77.14 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 120.049 1.295 . . . . 0.0 112.456 -177.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -50.6 -34.31 25.48 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 125.658 1.583 . . . . 0.0 112.945 169.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -97.23 -31.07 12.62 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.198 1.799 . . . . 0.0 113.546 -179.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 83.7 mtt180 -62.99 -41.35 99.55 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 124.813 1.245 . . . . 0.0 112.566 178.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -116.59 -3.13 11.83 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -175.332 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 52.98 83.15 0.07 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 126.791 2.036 . . . . 0.0 111.965 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 64.25 104.01 0.03 OUTLIER Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.202 2.201 . . . . 0.0 113.062 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -69.16 150.63 72.06 Favored 'Trans proline' 0 C--N 1.352 0.722 0 C-N-CA 122.863 2.375 . . . . 0.0 113.635 -172.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.53 156.32 39.56 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.832 1.253 . . . . 0.0 111.604 171.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.51 -34.09 66.67 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.033 -1.042 . . . . 0.0 113.424 -178.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 71.2 m -72.63 -39.12 67.48 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.078 0.854 . . . . 0.0 111.955 173.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -62.59 -40.67 97.64 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.928 0.891 . . . . 0.0 111.298 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 64.5 mtt180 -59.52 -39.78 85.0 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.14 0.976 . . . . 0.0 112.156 176.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -70.2 -41.19 74.01 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.237 0.472 . . . . 0.0 112.121 176.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -62.77 -45.53 92.22 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.153 -0.967 . . . . 0.0 111.861 174.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.92 -26.13 29.47 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 119.632 1.105 . . . . 0.0 112.424 176.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.7 -43.05 90.37 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.695 1.134 . . . . 0.0 111.167 171.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.62 -45.2 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 124.318 1.047 . . . . 0.0 111.181 171.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.2 m0 -71.38 -33.73 69.78 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -176.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 63.6 p -87.08 -7.24 58.26 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.976 1.31 . . . . 0.0 113.594 174.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 53.43 52.71 12.89 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.555 1.942 . . . . 0.0 113.518 -170.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 96.3 mt -115.65 170.3 8.54 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 127.235 2.214 . . . . 0.0 110.335 170.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 64.2 p -88.13 143.36 27.11 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.45 -0.781 . . . . 0.0 110.8 169.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.0 -24.27 67.65 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 121.308 -0.87 . . . . 0.0 113.259 -177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.34 -43.12 67.61 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.568 0.747 . . . . 0.0 112.376 174.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 80.0 mtt85 -63.22 -41.07 99.08 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 121.605 -0.684 . . . . 0.0 111.402 173.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.3 -42.87 97.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.682 0 C-N-CA 124.238 1.015 . . . . 0.0 111.805 175.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 40.5 ttm105 -61.73 -43.85 98.05 Favored 'General case' 0 N--CA 1.474 0.741 0 O-C-N 121.387 -0.821 . . . . 0.0 111.913 174.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.09 -39.2 84.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.245 173.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 26.6 t90 -61.68 -47.84 83.53 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 119.323 0.965 . . . . 0.0 112.035 178.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -69.74 -35.23 74.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 176.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -62.58 -41.01 98.69 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.059 0.845 . . . . 0.0 111.6 172.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -63.81 -43.56 95.91 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.251 1.02 . . . . 0.0 110.982 173.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -42.4 95.69 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.18 0.992 . . . . 0.0 112.437 176.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -67.86 -35.7 79.0 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.226 1.01 . . . . 0.0 112.925 173.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.28 -34.12 72.38 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.562 1.074 . . . . 0.0 113.258 174.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -68.75 -30.16 68.71 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.944 0.898 . . . . 0.0 112.403 171.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 22.7 t90 -74.38 -40.58 61.98 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.499 1.12 . . . . 0.0 112.763 169.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -118.26 65.95 0.76 Allowed 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 126.84 2.056 . . . . 0.0 111.953 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -64.37 80.72 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.77 2.028 . . . . 0.0 111.954 175.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 50.5 44.58 27.04 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 126.606 1.963 . . . . 0.0 112.973 -176.197 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -134.52 150.86 50.81 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.537 1.535 . . . . 0.0 111.372 -176.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 29.1 mp0 -67.03 173.1 3.91 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 126.179 1.791 . . . . 0.0 113.665 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 40.6 p90 -62.41 -25.14 67.79 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 120.78 -1.2 . . . . 0.0 114.187 177.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . 0.278 41.5 pt 51.66 -14.93 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.437 0 C-N-CA 130.998 3.719 . . . . 0.0 119.17 176.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 12.2 p -71.91 144.53 13.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.067 1.347 . . . . 0.0 111.808 175.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.6 p -78.75 155.78 29.17 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.858 1.263 . . . . 0.0 113.146 -178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--O 1.251 1.139 0 C-N-CA 126.22 1.808 . . . . 0.0 112.475 179.244 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 35.0 m -60.52 132.15 52.98 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 124.922 1.289 . . . . 0.0 112.521 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -158.03 173.6 16.51 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 124.906 1.283 . . . . 0.0 112.397 -170.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 6.1 tpp85 -146.84 148.9 32.34 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.976 1.31 . . . . 0.0 111.573 170.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -135.53 146.24 47.86 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.084 1.754 . . . . 0.0 110.64 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -152.23 147.94 26.98 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.387 1.075 . . . . 0.0 112.167 -175.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -128.4 162.55 26.86 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 126.371 1.868 . . . . 0.0 111.366 169.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 34.0 p -132.82 165.16 25.22 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.062 1.745 . . . . 0.0 111.995 -176.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -69.72 168.24 15.39 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.275 1.03 . . . . 0.0 112.637 176.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -76.36 150.65 36.82 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.977 0.911 . . . . 0.0 113.347 -169.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 9.0 t -110.67 153.73 24.83 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.796 1.239 . . . . 0.0 111.672 169.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 79.7 p -60.47 -22.28 63.31 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.483 1.113 . . . . 0.0 113.877 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -70.07 -25.53 63.58 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.668 1.187 . . . . 0.0 112.988 173.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -82.01 -45.91 14.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 124.143 0.977 . . . . 0.0 110.427 172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.94 -42.13 97.6 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 123.422 0.689 . . . . 0.0 112.445 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -68.93 -33.64 74.06 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.92 0.782 . . . . 0.0 112.869 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -72.68 -36.48 67.92 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.928 0.786 . . . . 0.0 111.718 174.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 59.6 mt -64.4 -44.32 91.65 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.445 0.698 . . . . 0.0 111.687 173.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -73.32 -29.68 62.85 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.03 -1.044 . . . . 0.0 113.166 175.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.71 -43.89 83.09 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 120.972 -1.08 . . . . 0.0 111.337 169.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -72.55 -30.27 64.29 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.481 1.037 . . . . 0.0 112.867 -179.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -62.26 -29.86 70.71 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.669 1.187 . . . . 0.0 112.549 169.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -85.09 -35.96 21.47 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.432 1.093 . . . . 0.0 112.474 172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -59.98 -41.48 92.08 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 126.738 2.015 . . . . 0.0 111.873 175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 54.5 t-20 -146.41 120.08 9.19 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.595 1.558 . . . . 0.0 109.948 169.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.41 -17.82 61.77 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 113.61 0.967 . . . . 0.0 113.61 177.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -132.98 68.92 79.02 Favored Pre-proline 0 CA--C 1.55 0.973 0 C-N-CA 126.012 1.725 . . . . 0.0 111.361 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -65.81 154.82 72.28 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 123.859 3.039 . . . . 0.0 112.421 177.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -90.72 175.53 6.99 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.82 1.248 . . . . 0.0 111.46 170.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 3.0 mpp? -59.49 -43.8 93.23 Favored 'General case' 0 CA--C 1.538 0.504 0 O-C-N 121.059 -1.026 . . . . 0.0 110.73 173.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 19.5 m -62.44 -35.11 78.25 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.132 0.973 . . . . 0.0 112.593 175.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 3.2 m -67.48 -45.52 75.66 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.67 0.788 . . . . 0.0 110.917 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 73.5 mtt85 -61.69 -39.45 91.52 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.682 -0.636 . . . . 0.0 111.957 174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -68.71 -39.78 80.3 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 178.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.76 -36.6 73.16 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 120.04 1.291 . . . . 0.0 112.032 176.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 pp -72.98 -24.74 21.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 O-C-N 120.752 -1.217 . . . . 0.0 112.482 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.12 -38.56 88.48 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 119.179 0.9 . . . . 0.0 111.208 169.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 48.4 t -62.45 -44.51 99.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 C-N-CA 123.955 0.902 . . . . 0.0 111.103 170.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 38.1 m0 -67.31 -36.93 82.48 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -178.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 69.6 p -94.78 -4.09 47.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 125.257 1.423 . . . . 0.0 113.97 -179.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 60.62 14.23 4.82 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.647 2.379 . . . . 0.0 115.478 -171.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mp -71.99 168.95 16.95 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.613 -1.305 . . . . 0.0 112.201 173.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -92.36 145.18 24.68 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.533 1.133 . . . . 0.0 109.015 168.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -62.73 -31.1 71.96 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 120.417 -1.427 . . . . 0.0 114.21 -173.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.3 -36.52 77.1 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.34 -0.85 . . . . 0.0 112.405 173.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -66.77 -36.8 83.25 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.751 1.22 . . . . 0.0 111.298 174.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 68.0 t -64.53 -45.85 94.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.007 0.923 . . . . 0.0 111.598 169.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -58.42 -44.23 88.98 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 119.06 0.846 . . . . 0.0 111.726 177.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.55 -40.08 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 124.02 0.928 . . . . 0.0 111.597 173.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -62.09 -45.46 93.38 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 119.511 1.05 . . . . 0.0 112.621 175.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -63.89 -39.48 94.29 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.923 0.783 . . . . 0.0 112.178 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.65 -45.0 95.75 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.221 0.608 . . . . 0.0 111.7 172.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -62.68 -47.62 82.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.047 1.339 . . . . 0.0 112.171 177.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 7.9 tpm_? -59.55 -41.25 89.67 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.197 1.399 . . . . 0.0 112.218 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -75.54 -43.4 48.96 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.122 0.969 . . . . 0.0 112.433 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.12 -39.48 82.42 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.754 0.821 . . . . 0.0 112.856 -178.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.66 -29.94 71.11 Favored 'General case' 0 N--CA 1.477 0.925 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 176.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -80.87 -47.09 14.27 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.106 0.962 . . . . 0.0 112.316 172.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.44 -21.09 63.81 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 125.622 1.569 . . . . 0.0 113.804 177.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -40.61 -53.46 2.73 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 128.551 2.741 . . . . 0.0 114.053 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 50.34 29.11 3.6 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 127.136 2.174 . . . . 0.0 115.742 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -88.27 -14.22 38.94 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.147 0.979 . . . . 0.0 112.886 172.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -78.52 158.72 28.49 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.966 1.307 . . . . 0.0 111.753 174.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -62.75 137.79 58.35 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -176.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 41.3 pt -136.63 152.01 28.64 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 126.384 1.874 . . . . 0.0 110.76 173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 26.9 m -84.94 -14.33 11.15 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 N-CA-C 114.137 1.162 . . . . 0.0 114.137 -179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 3.6 m 52.91 48.54 22.21 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.787 1.635 . . . . 0.0 112.625 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.2 t70 . . . . . 0 C--O 1.252 1.185 0 C-N-CA 126.455 1.902 . . . . 0.0 112.72 -177.365 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.525 0 N-CA-C 111.227 -0.749 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 43.9 m -140.5 155.2 46.73 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 125.13 1.372 . . . . 0.0 111.858 -176.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 53.7 mm-40 -137.13 154.93 50.15 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.476 1.511 . . . . 0.0 111.554 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 84.7 mtp180 -76.84 112.27 13.25 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.399 1.08 . . . . 0.0 110.231 176.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -83.09 158.51 22.4 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 124.825 1.25 . . . . 0.0 113.734 -175.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -122.59 4.06 9.58 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.421 1.488 . . . . 0.0 113.902 174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -70.35 167.25 18.52 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.836 1.255 . . . . 0.0 113.281 179.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m 68.24 -61.26 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 127.719 2.408 . . . . 0.0 115.064 169.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 48.22 -130.79 1.67 Allowed 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 125.839 1.656 . . . . 0.0 112.725 -177.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -56.6 139.82 48.71 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.781 1.232 . . . . 0.0 112.41 174.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 13.5 t -83.84 155.81 22.76 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 121.41 -0.806 . . . . 0.0 111.94 173.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 66.5 p -59.24 -30.88 68.58 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.164 0.986 . . . . 0.0 113.244 -178.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.09 -38.96 92.43 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.712 0.805 . . . . 0.0 112.086 175.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -66.34 -44.9 82.01 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 121.743 -0.598 . . . . 0.0 110.742 174.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 9.4 mp -59.74 -38.54 82.02 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.352 0.661 . . . . 0.0 112.169 176.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -72.07 -40.57 68.2 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.801 0.667 . . . . 0.0 112.801 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.36 -35.05 79.37 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.972 0.806 . . . . 0.0 112.005 172.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 35.3 mt -70.34 -41.41 73.25 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 124.202 1.001 . . . . 0.0 111.6 176.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -70.12 -36.7 75.01 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 121.447 -0.783 . . . . 0.0 112.209 175.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.67 -41.76 95.7 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.535 -0.728 . . . . 0.0 112.602 174.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -74.47 -37.38 63.21 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 118.811 0.732 . . . . 0.0 112.316 174.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -59.07 -45.37 90.98 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.299 0.954 . . . . 0.0 112.765 174.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 33.8 mm-40 -73.06 -16.78 61.48 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 120.95 -1.094 . . . . 0.0 113.275 179.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -81.92 -41.87 20.28 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.563 1.145 . . . . 0.0 111.847 169.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -149.42 116.89 6.13 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.028 1.731 . . . . 0.0 110.449 175.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -82.73 -10.4 58.91 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -133.62 58.45 33.08 Favored Pre-proline 0 CA--C 1.553 1.088 0 C-N-CA 125.57 1.548 . . . . 0.0 112.697 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -69.5 151.83 70.57 Favored 'Trans proline' 0 CA--C 1.537 0.652 0 C-N-CA 123.592 2.861 . . . . 0.0 112.936 178.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -71.48 157.45 38.0 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.696 1.198 . . . . 0.0 111.629 172.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -34.96 63.11 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.189 -0.944 . . . . 0.0 112.931 178.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -71.18 -36.33 71.94 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.583 1.083 . . . . 0.0 112.582 174.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -65.47 -43.88 88.88 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.988 0.915 . . . . 0.0 110.735 172.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 mtt180 -62.19 -36.39 81.76 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.068 0.947 . . . . 0.0 112.207 173.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -69.45 -39.2 77.93 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 119.044 0.838 . . . . 0.0 112.416 178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -61.71 -48.95 78.42 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 118.763 0.71 . . . . 0.0 111.294 173.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pp -69.52 -25.86 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 121.271 -0.893 . . . . 0.0 112.29 178.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.48 -47.53 78.59 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 119.225 0.92 . . . . 0.0 111.983 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 34.2 m -68.21 -29.31 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 CA-C-N 120.067 1.303 . . . . 0.0 112.617 177.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 43.1 m0 -71.42 -34.83 70.67 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.031 0.832 . . . . 0.0 112.611 174.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 40.9 p -88.25 -1.56 58.09 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 125.063 1.345 . . . . 0.0 113.962 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 51.6 t30 53.15 49.79 19.2 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 126.628 1.971 . . . . 0.0 113.484 -172.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 92.7 mt -121.11 177.13 5.25 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 128.01 2.524 . . . . 0.0 111.011 175.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 9.0 p -102.41 149.31 24.49 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.04 1.336 . . . . 0.0 110.876 169.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -65.82 -28.67 69.16 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.277 -0.889 . . . . 0.0 112.872 -173.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.77 -28.92 69.91 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 121.012 -1.055 . . . . 0.0 113.378 171.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -71.97 -32.52 67.33 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 120.877 -1.139 . . . . 0.0 111.886 169.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 21.9 t -66.39 -40.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 CA-C-N 118.875 0.761 . . . . 0.0 111.181 172.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -58.52 -29.36 66.23 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.609 1.164 . . . . 0.0 113.642 173.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 78.0 t -86.51 -42.79 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 124.665 1.186 . . . . 0.0 111.483 174.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 55.3 t90 -62.84 -39.71 95.22 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.416 -0.803 . . . . 0.0 112.682 -175.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -63.49 -37.43 87.28 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.58 -0.7 . . . . 0.0 112.305 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 60.7 mttp -67.41 -41.7 84.44 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.606 0.763 . . . . 0.0 111.317 172.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -62.59 -45.21 93.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 124.243 1.017 . . . . 0.0 111.749 177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 5.7 tpm_? -60.65 -42.99 98.09 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 124.86 1.264 . . . . 0.0 112.355 175.351 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -68.92 -39.04 79.87 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 118.983 0.81 . . . . 0.0 112.665 175.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.26 -41.11 97.1 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.414 0.686 . . . . 0.0 111.999 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -64.46 -37.01 86.03 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.026 1.33 . . . . 0.0 112.419 175.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -67.22 -39.93 86.31 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.475 1.11 . . . . 0.0 112.692 172.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 ttp85 -69.74 -43.01 73.14 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.876 1.271 . . . . 0.0 112.601 176.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 29.6 mmmt -78.72 50.52 0.99 Allowed 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 126.888 2.075 . . . . 0.0 112.918 177.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -71.71 -16.11 62.22 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.558 1.543 . . . . 0.0 113.224 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -128.59 157.49 41.1 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.858 2.063 . . . . 0.0 110.168 169.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -73.64 -26.08 60.59 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -175.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -66.42 158.35 29.63 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.184 1.394 . . . . 0.0 114.396 -172.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 9.5 tp -149.05 152.5 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 125.933 1.693 . . . . 0.0 110.916 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 49.8 t -130.27 134.72 62.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.572 1.549 . . . . 0.0 109.532 175.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 24.0 m -143.88 140.53 29.82 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.019 1.328 . . . . 0.0 110.541 -177.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 33.0 t70 . . . . . 0 C--O 1.253 1.253 0 C-N-CA 126.144 1.777 . . . . 0.0 112.604 178.482 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' -1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.592 0 N-CA-C 111.873 -0.491 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' P' P ' 0' ' ' SER . . . . . . . . . . . . . 32.7 m -65.93 151.89 45.73 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.686 1.194 . . . . 0.0 113.379 -177.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 1' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -134.1 160.21 38.49 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.787 1.635 . . . . 0.0 111.454 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 2' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -130.19 152.79 49.24 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.806 1.642 . . . . 0.0 112.25 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 3' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -133.94 -1.58 2.99 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 126.66 1.984 . . . . 0.0 113.025 177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 4' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -68.88 159.97 31.57 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 126.698 1.999 . . . . 0.0 112.694 -176.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 5' ' ' ARG . . . . . . . . . . . . . 18.8 tpt180 51.5 68.85 0.73 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 126.983 2.113 . . . . 0.0 113.341 -179.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -77.17 -17.84 58.26 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.916 1.287 . . . . 0.0 113.559 172.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 7' ' ' HIS . . . . . 0.485 ' CG ' ' H ' ' P' ' 8' ' ' PHE . 35.3 t-80 -82.31 -170.31 2.85 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.773 1.629 . . . . 0.0 111.898 174.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 8' ' ' PHE . . . . . 0.485 ' H ' ' CG ' ' P' ' 7' ' ' HIS . 6.5 m-30 -55.76 143.41 31.01 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.21 1.404 . . . . 0.0 113.356 -169.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 9' ' ' THR . . . . . . . . . . . . . 7.7 t -79.95 163.39 24.32 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 121.77 -0.581 . . . . 0.0 112.443 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 10' ' ' SER . . . . . . . . . . . . . 28.8 m -56.57 -33.74 66.46 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.788 1.235 . . . . 0.0 113.722 -174.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 11' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -68.72 -40.16 80.05 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.617 -0.677 . . . . 0.0 112.179 175.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 12' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -67.37 -40.67 85.77 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.715 0.806 . . . . 0.0 111.213 175.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 13' ' ' LEU . . . . . . . . . . . . . 98.1 mt -64.03 -40.59 96.66 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.828 0.851 . . . . 0.0 112.079 174.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 14' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -65.56 -42.69 91.56 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.67 0.788 . . . . 0.0 111.75 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 15' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -65.48 -38.39 89.65 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.663 -0.648 . . . . 0.0 112.288 174.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 16' ' ' LEU . . . . . . . . . . . . . 13.7 mt -69.23 -36.74 77.51 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 118.849 0.75 . . . . 0.0 112.855 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 17' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -67.93 -43.18 79.77 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.615 1.098 . . . . 0.0 111.52 172.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.96 -41.94 97.31 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.528 -0.733 . . . . 0.0 111.511 174.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 19' ' ' THR . . . . . . . . . . . . . 54.6 m -60.1 -47.87 84.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.024 1.329 . . . . 0.0 111.317 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -61.92 -43.36 98.99 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.356 1.063 . . . . 0.0 112.303 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 21' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -77.31 -35.66 54.7 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 -178.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 22' ' ' ARG . . . . . . . . . . . . . 63.5 ttm-85 -74.77 -36.0 62.55 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.197 0.999 . . . . 0.0 112.727 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -135.77 69.51 1.43 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.209 1.404 . . . . 0.0 110.758 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 24' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -57.43 146.8 28.25 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.271 1.028 . . . . 0.0 111.576 176.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 25' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 50.73 58.28 17.06 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 125.536 1.534 . . . . 0.0 113.538 -173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 26' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -65.55 142.18 70.22 Favored 'Trans proline' 0 C--N 1.352 0.748 0 C-N-CA 123.214 2.61 . . . . 0.0 113.082 -174.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -70.7 153.24 43.0 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.893 1.277 . . . . 0.0 111.585 172.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 28' ' ' MET . . . . . . . . . . . . . 15.3 mmt -58.76 -32.52 69.34 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -176.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -69.99 -35.82 74.68 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.105 0.866 . . . . 0.0 112.1 173.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 30' ' ' THR . . . . . . . . . . . . . 30.8 m -66.18 -44.57 83.63 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.574 0.749 . . . . 0.0 110.74 172.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 31' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -59.11 -38.22 79.06 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.862 0.865 . . . . 0.0 112.213 174.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 32' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -69.89 -41.29 74.95 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.158 0.583 . . . . 0.0 112.536 176.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 33' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -63.84 -46.11 86.52 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.383 -0.823 . . . . 0.0 111.768 176.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 34' ' ' ILE . . . . . . . . . . . . . 2.1 pp -68.77 -24.77 29.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 O-C-N 121.058 -1.026 . . . . 0.0 112.457 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.68 -44.4 86.34 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.274 0.943 . . . . 0.0 111.547 173.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -71.06 -30.33 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 120.767 -1.208 . . . . 0.0 112.644 175.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 37' ' ' TRP . . . . . . . . . . . . . 45.5 m0 -72.57 -34.82 67.74 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 119.075 0.852 . . . . 0.0 113.151 176.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 38' ' ' THR . . . . . . . . . . . . . 47.6 p -87.99 -4.64 58.78 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 124.831 1.252 . . . . 0.0 113.674 173.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 39' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 54.05 54.56 9.49 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 126.543 1.937 . . . . 0.0 112.473 -172.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 40' ' ' LEU . . . . . . . . . . . . . 74.7 mt -122.86 168.44 12.27 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 127.676 2.39 . . . . 0.0 111.772 177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 41' ' ' THR . . . . . . . . . . . . . 2.3 m -84.87 132.8 34.34 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 124.721 1.208 . . . . 0.0 110.083 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 42' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -64.75 -25.06 67.76 Favored 'General case' 0 N--CA 1.475 0.778 0 N-CA-C 114.116 1.154 . . . . 0.0 114.116 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.41 -35.95 46.36 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 120.997 -1.064 . . . . 0.0 112.309 173.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 44' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -66.65 -35.29 79.8 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 121.372 -0.83 . . . . 0.0 111.271 172.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 45' ' ' VAL . . . . . . . . . . . . . 36.1 t -65.56 -43.21 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 124.831 1.252 . . . . 0.0 111.968 170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 46' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -58.53 -43.47 89.24 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.06 -1.025 . . . . 0.0 112.21 172.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.66 -40.03 86.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 CA-C-O 118.723 -0.656 . . . . 0.0 111.209 172.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 48' ' ' TRP . . . . . . . . . . . . . 72.8 t90 -60.76 -43.64 97.76 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.703 1.138 . . . . 0.0 112.511 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 49' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -65.69 -37.61 86.95 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 119.423 1.01 . . . . 0.0 112.808 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 50' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.89 -43.71 95.22 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 121.556 -0.715 . . . . 0.0 111.832 171.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 51' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -64.47 -39.1 93.17 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.145 1.378 . . . . 0.0 111.966 177.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 52' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -67.27 -37.44 83.47 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.422 1.489 . . . . 0.0 112.684 176.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 53' ' ' ARG . . . . . . . . . . . . . 28.9 tpt180 -72.7 -25.89 61.4 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.53 1.132 . . . . 0.0 112.63 174.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.75 -47.77 44.09 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 118.794 0.725 . . . . 0.0 110.828 168.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 55' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -60.87 -24.96 66.34 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 125.073 1.349 . . . . 0.0 114.237 177.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 56' ' ' TRP . . . . . . . . . . . . . 39.7 t90 -59.2 -26.75 65.09 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.003 1.321 . . . . 0.0 113.88 169.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.04 -9.82 7.67 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 115.494 1.665 . . . . 0.0 115.494 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' P' P ' 58' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -56.39 146.33 24.63 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.929 1.692 . . . . 0.0 112.249 176.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 59' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.26 129.98 34.88 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.838 0.855 . . . . 0.0 110.656 169.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -111.21 156.73 21.0 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.522 1.529 . . . . 0.0 112.336 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 61' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -84.94 -0.45 54.29 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.653 1.181 . . . . 0.0 113.892 -178.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 62' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -137.06 160.33 39.27 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 125.901 1.68 . . . . 0.0 111.822 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 63' ' ' ILE . . . . . . . . . . . . . 48.9 pt -67.75 157.85 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 125.018 1.327 . . . . 0.0 113.314 -178.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 64' ' ' VAL . . . . . . . . . . . . . 37.0 t -73.3 134.61 29.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.968 0.907 . . . . 0.0 109.765 173.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 65' ' ' THR . . . . . . . . . . . . . 36.8 p -97.01 -0.37 47.42 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 115.265 1.58 . . . . 0.0 115.265 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' P' P ' 66' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--O 1.252 1.2 0 C-N-CA 126.177 1.791 . . . . 0.0 113.918 179.423 . . . . . . . . 0 0 . 1 stop_ save_