data_5unk_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 5unk _Structure_validation_residue.Date_analyzed 2017-06-02 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 121.251 0.548 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 28' ' ' LEU . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.476 0.655 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.421 HH22 ' HD3' ' A' ' 15' ' ' ARG . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.418 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.658 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 . . . . . 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 . . . . . 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -61.21 -38.51 86.85 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.756 2.022 . . . . 0.0 114.143 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.84 -22.04 65.16 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.095 2.158 . . . . 0.0 112.736 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t 74.65 75.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.957 2.903 . . . . 0.0 107.728 -165.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.82 -44.78 80.25 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.796 2.038 . . . . 0.0 112.467 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -110.24 103.26 53.5 Favored Pre-proline 0 C--N 1.353 0.733 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.43 -21.01 30.97 Favored 'Trans proline' 0 CA--C 1.511 -0.655 0 C-N-CA 123.079 2.519 . . . . 0.0 115.719 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -82.43 -49.04 10.39 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 121.407 1.912 . . . . 0.0 112.453 167.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.4 -45.36 19.65 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.483 -0.761 . . . . 0.0 112.909 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.2 -43.22 82.65 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 121.562 -0.711 . . . . 0.0 110.454 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -65.74 -44.11 86.95 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.31 -45.06 81.63 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -137.72 126.27 23.58 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.173 1.463 . . . . 0.0 112.266 168.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.0 123.4 7.72 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 107.419 -2.272 . . . . 0.0 107.419 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -104.12 123.07 46.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.491 -2.041 . . . . 0.0 105.491 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -148.1 143.0 26.84 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.758 -1.213 . . . . 0.0 111.152 -163.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.13 41.4 3.52 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.398 1.479 . . . . 0.0 108.684 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HG3' ' HG3' ' A' ' 60' ' ' LYS . 1.3 tpp180 -131.27 150.21 52.24 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 121.388 -0.82 . . . . 0.0 109.078 -173.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HG3' ' HG3' ' A' ' 59' ' ' ARG . 83.1 mttt 60.58 -125.21 1.0 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.138 2.575 . . . . 0.0 112.54 -176.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD23 ' H ' ' A' ' 61' ' ' LEU . 2.6 pt? -66.33 -30.65 71.09 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.261 1.682 0 O-C-N 120.339 -1.476 . . . . 0.0 114.028 -175.908 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.063 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -76.89 -5.79 49.87 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.479 1.512 . . . . 0.0 114.232 -172.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.8 mtp -72.16 113.4 9.16 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.289 1.036 . . . . 0.0 113.634 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.38 135.16 35.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -122.96 -48.38 2.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.31 -0.869 . . . . 0.0 111.741 173.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -108.42 128.12 26.21 Favored Pre-proline 0 C--N 1.354 0.784 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.63 -33.71 44.22 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.454 2.77 . . . . 0.0 116.407 -156.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.69 -46.43 5.17 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.083 1.31 . . . . 0.0 110.892 173.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.44 -45.73 89.54 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 119.903 1.229 . . . . 0.0 112.711 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -67.98 -38.52 82.8 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.99 0.814 . . . . 0.0 112.381 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD13 HD11 ' A' ' 28' ' ' LEU . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.405 HD11 HD13 ' A' ' 13' ' ' LEU . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.73 -44.68 89.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.55 -46.84 71.56 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 123.89 0.876 . . . . 0.0 112.519 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -114.91 126.95 55.38 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.131 1.443 . . . . 0.0 111.392 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.1 92.38 1.7 Allowed Glycine 0 C--N 1.351 1.371 0 O-C-N 120.53 -1.356 . . . . 0.0 110.059 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.1 -39.72 79.32 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.844 2.457 . . . . 0.0 113.028 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -64.95 -21.55 66.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.43 -64.77 1.06 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.066 0.947 . . . . 0.0 111.977 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -159.58 161.85 35.22 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.528 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -63.82 -42.92 97.55 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.863 0.865 . . . . 0.0 113.325 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.9 tt 74.49 121.47 0.04 OUTLIER 'General case' 0 C--N 1.358 0.957 0 C-N-CA 128.789 2.835 . . . . 0.0 110.133 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.259 1.605 0 O-C-N 119.824 -1.797 . . . . 0.0 114.72 -171.633 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -140.55 157.78 44.97 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.51 1.05 . . . . 0.0 111.367 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.3 mtt -141.41 172.27 12.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.849 1.259 . . . . 0.0 111.282 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 t -70.78 -12.96 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 124.235 1.014 . . . . 0.0 113.482 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -75.69 -22.83 56.3 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.03 0.932 . . . . 0.0 112.106 167.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -76.35 159.11 80.65 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.089 -1.007 . . . . 0.0 111.482 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.8 62.23 3.07 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.876 3.051 . . . . 0.0 110.575 163.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -151.97 23.71 0.66 Allowed 'General case' 0 C--N 1.359 0.995 1 C-N-CA 132.824 4.449 . . . . 0.0 110.972 171.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -57.02 -52.92 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.655 2.382 . . . . 0.0 109.988 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -45.18 -45.13 11.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.0 1.72 . . . . 0.0 111.966 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.65 -44.43 96.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 tp -93.12 -28.39 16.35 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -140.14 7.45 2.22 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -167.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.32 45.64 74.28 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 161.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -149.37 123.77 9.65 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.236 -1.155 . . . . 0.0 113.878 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -137.4 81.3 1.86 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.581 2.352 . . . . 0.0 104.904 159.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.14 -64.76 0.95 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -152.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -139.1 37.37 2.12 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.658 0.783 . . . . 0.0 112.881 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 69.41 -48.76 0.6 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 127.517 2.327 . . . . 0.0 111.987 -163.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.88 -175.95 5.62 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 125.265 1.426 . . . . 0.0 108.875 156.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 . . . . . 0 CA--C 1.564 1.515 0 C-N-CA 126.592 1.957 . . . . 0.0 113.218 -173.872 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 p -131.93 136.63 47.51 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.499 1.12 . . . . 0.0 108.301 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mtp -138.37 142.08 39.64 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.84 0.856 . . . . 0.0 108.905 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.3 m -76.2 -26.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 C-N-CA 124.555 1.142 . . . . 0.0 113.552 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.994 1.717 . . . . 0.0 113.288 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 m -69.7 154.13 95.03 Favored Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 126.001 1.721 . . . . 0.0 112.884 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.84 -4.8 15.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.925 3.083 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.72 -16.2 60.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.796 2.438 . . . . 0.0 111.518 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -60.1 -18.62 48.49 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.859 2.064 . . . . 0.0 114.315 -167.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.76 -39.76 85.92 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 111.563 170.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.421 HH22 ' HD3' ' A' ' 15' ' ' ARG . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.418 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -44.83 92.79 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.84 -45.55 70.84 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -124.97 115.8 21.16 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 121.05 -1.031 . . . . 0.0 108.757 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.6 61.37 3.85 Favored Glycine 0 C--N 1.354 1.571 0 O-C-N 120.051 -1.655 . . . . 0.0 114.885 -172.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -126.87 148.69 49.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 125.151 1.38 . . . . 0.0 108.213 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -81.15 144.47 31.64 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.559 -0.713 . . . . 0.0 109.185 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.85 130.97 45.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.376 -0.828 . . . . 0.0 109.193 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.79 130.99 44.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.634 -0.667 . . . . 0.0 110.068 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.25 66.78 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.668 1.187 . . . . 0.0 112.965 163.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.79 -40.73 98.23 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.29 2.236 . . . . 0.0 113.149 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--O 1.26 1.637 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.007 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -82.15 -5.01 58.14 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.032 -1.043 . . . . 0.0 111.859 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt 72.82 -0.11 3.47 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.701 2.4 . . . . 0.0 115.925 172.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.71 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.189 1.796 . . . . 0.0 112.211 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.8 mp -63.83 -38.69 92.04 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 127.197 2.199 . . . . 0.0 112.549 -177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.426 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 69.5 m -66.03 158.11 77.63 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.682 1.993 . . . . 0.0 111.393 172.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 6' ' ' SER . 58.3 Cg_endo -66.56 -11.34 31.31 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.95 2.433 . . . . 0.0 115.027 -171.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -82.48 43.91 0.85 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.109 1.322 . . . . 0.0 112.143 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -66.65 -38.24 86.45 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.327 -1.483 . . . . 0.0 113.345 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.82 -40.54 93.15 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.027 1.731 . . . . 0.0 112.092 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.658 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.658 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.04 -43.29 95.97 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.27 -46.46 70.35 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -120.5 118.62 30.71 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.817 1.247 . . . . 0.0 108.532 -175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.67 76.36 2.25 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 120.303 -1.498 . . . . 0.0 113.151 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -71.04 124.1 23.61 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.242 1.021 . . . . 0.0 111.87 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -152.58 140.1 19.7 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.34 -71.16 0.08 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 113.778 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -132.9 -91.14 0.39 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -135.53 -50.38 0.73 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 158.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.5 mt 51.6 47.29 25.09 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 117.592 2.442 . . . . 0.0 117.592 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 C--O 1.26 1.618 0 O-C-N 120.455 -1.403 . . . . 0.0 113.579 177.124 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -79.29 156.46 28.05 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.633 -1.292 . . . . 0.0 112.474 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -87.17 137.09 32.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.331 -0.855 . . . . 0.0 109.622 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.16 145.44 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -41.57 96.07 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.051 1.341 . . . . 0.0 112.324 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -138.94 148.09 56.52 Favored Pre-proline 0 N--CA 1.447 -0.621 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.76 -15.05 19.33 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.626 2.217 . . . . 0.0 111.848 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -91.96 -45.84 8.13 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.412 1.005 . . . . 0.0 113.003 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -97.82 -48.63 5.12 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 120.613 -1.304 . . . . 0.0 111.621 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -69.24 -43.4 74.08 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 121.23 -0.918 . . . . 0.0 112.503 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -66.32 -43.35 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.46 -44.26 45.15 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.409 0.683 . . . . 0.0 111.961 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -125.85 131.85 52.31 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.64 1.51 Allowed Glycine 0 C--N 1.351 1.395 0 O-C-N 119.814 -1.803 . . . . 0.0 112.032 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -80.76 72.75 7.74 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 110.13 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t 64.08 -163.69 0.26 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 126.73 2.012 . . . . 0.0 111.773 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.72 -67.41 0.56 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.862 -1.149 . . . . 0.0 112.175 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.13 -119.29 1.11 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.9 1.68 . . . . 0.0 112.333 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.54 137.38 42.48 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.595 -1.316 . . . . 0.0 110.167 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 67.95 -48.78 0.53 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 128.268 2.627 . . . . 0.0 115.191 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.261 1.665 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -172.026 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -65.17 142.02 58.48 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.869 1.667 . . . . 0.0 113.155 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mtp -82.43 147.06 28.97 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.829 0.852 . . . . 0.0 112.72 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -99.73 -21.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 111.31 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.53 -38.83 92.37 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.864 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.503 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 96.7 p -75.73 165.65 51.62 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.65 1.98 . . . . 0.0 112.702 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.503 ' HD2' ' HB2' ' A' ' 6' ' ' SER . 71.9 Cg_endo -73.3 2.11 6.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.565 2.844 . . . . 0.0 112.491 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -81.08 5.89 15.29 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.564 2.346 . . . . 0.0 111.125 171.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -59.81 -36.36 76.6 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 113.921 -171.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.75 -43.17 99.36 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.638 0.775 . . . . 0.0 112.104 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.427 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.427 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -63.9 -45.25 90.17 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.41 -46.52 76.27 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.06 0.944 . . . . 0.0 113.27 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -116.02 119.66 36.59 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.976 -1.077 . . . . 0.0 108.469 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.2 75.25 2.09 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 120.709 -1.244 . . . . 0.0 113.197 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 55.36 -127.68 2.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 127.653 2.381 . . . . 0.0 110.163 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -158.26 147.79 19.59 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.755 -3.054 . . . . 0.0 102.755 159.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 52.54 56.61 7.41 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.71 138.44 58.49 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.15 132.55 56.33 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 156.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.1 tp -66.59 -44.04 83.28 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 121.902 0.858 . . . . 0.0 112.386 -174.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.261 1.662 0 O-C-N 120.989 -1.07 . . . . 0.0 113.745 178.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -61.0 -43.5 98.8 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.189 1.396 . . . . 0.0 112.77 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.6 ptm -66.9 -22.96 65.95 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.74 -47.43 83.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 124.542 1.137 . . . . 0.0 113.411 -166.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt 53.2 -120.07 1.62 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -97.11 107.88 40.59 Favored Pre-proline 0 C--N 1.355 0.807 0 O-C-N 120.929 -1.107 . . . . 0.0 108.191 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -71.76 -20.47 26.25 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 C-N-CA 122.469 2.113 . . . . 0.0 113.588 -165.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -62.58 -40.01 95.51 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 114.213 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -93.76 -38.43 11.28 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.196 -0.94 . . . . 0.0 111.448 170.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -64.36 -44.43 91.44 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.8 -43.51 83.69 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.37 -44.24 68.47 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.659 -0.651 . . . . 0.0 111.845 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -133.03 123.73 26.36 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 122.304 1.049 . . . . 0.0 110.899 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.06 91.91 1.73 Allowed Glycine 0 C--N 1.351 1.398 0 O-C-N 120.51 -1.369 . . . . 0.0 111.019 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.23 57.16 2.22 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.733 1.213 . . . . 0.0 111.31 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 t -67.4 -46.61 72.73 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.275 1.43 . . . . 0.0 113.191 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.32 56.59 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 70.39 119.52 0.04 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.701 2.8 . . . . 0.0 111.427 -162.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -103.45 -45.62 4.8 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.841 -1.162 . . . . 0.0 110.924 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -147.49 158.55 44.03 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.259 1.559 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.414 -172.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -131.23 159.38 37.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.96 -37.03 80.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.46 1.904 . . . . 0.0 113.121 -174.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.67 18.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 127.175 2.19 . . . . 0.0 114.37 -168.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.17 -45.14 94.1 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.814 1.646 . . . . 0.0 113.478 -163.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -120.09 90.09 43.86 Favored Pre-proline 0 C--N 1.354 0.778 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.484 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.05 -22.03 42.11 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.127 2.551 . . . . 0.0 114.21 -169.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.19 -44.14 97.77 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.631 1.105 . . . . 0.0 112.251 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -84.65 -46.14 11.8 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.676 -0.64 . . . . 0.0 110.579 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -65.24 -44.49 88.02 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -170.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -62.68 -41.03 98.89 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.98 -45.62 88.24 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -115.79 -10.62 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.86 131.2 50.42 Favored Glycine 0 C--N 1.357 1.698 0 N-CA-C 116.896 1.519 . . . . 0.0 116.896 -155.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 44.88 55.02 6.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 128.6 2.76 . . . . 0.0 115.573 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.4 p -67.52 -9.06 38.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 115.5 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.87 74.65 2.14 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.375 1.87 . . . . 0.0 112.627 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 74.54 158.62 0.21 Allowed 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.25 2.62 . . . . 0.0 114.698 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.07 68.58 7.41 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.414 -1.429 . . . . 0.0 111.671 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.3 mt -85.28 68.68 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 122.447 1.117 . . . . 0.0 109.626 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.259 1.573 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.889 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -124.33 147.55 48.09 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.9 ptp -66.2 -36.63 83.57 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -172.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 t 48.9 47.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 127.745 2.418 . . . . 0.0 113.928 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.1 tp -105.08 -44.51 4.77 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.521 -1.362 . . . . 0.0 112.014 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -134.53 134.99 22.86 Favored Pre-proline 0 C--N 1.353 0.749 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.38 -29.25 31.85 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.656 2.237 . . . . 0.0 113.435 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -47.75 74.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.123 0.969 . . . . 0.0 112.704 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.8 -39.81 34.69 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.145 -0.972 . . . . 0.0 113.242 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.87 -43.59 92.45 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 120.525 1.511 . . . . 0.0 113.285 -174.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.94 -44.75 79.82 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.42 -49.03 68.13 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -132.06 117.8 18.83 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.83 98.6 2.47 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 119.93 -1.731 . . . . 0.0 110.976 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -71.96 151.9 42.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 113.541 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.7 t -141.7 -50.53 0.41 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.332 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.44 -94.06 0.5 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 123.681 0.792 . . . . 0.0 111.329 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.64 146.06 50.68 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.343 1.057 . . . . 0.0 108.861 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mttm 54.37 -123.39 2.08 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.277 1.431 . . . . 0.0 114.411 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.19 -44.95 86.76 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.292 1.437 . . . . 0.0 113.21 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 124.145 0.978 . . . . 0.0 110.558 -177.668 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 121.251 0.548 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 . . . . . 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 . . . . . 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.476 0.655 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 . . . . . 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 . . . . . 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 26' ' ' LYS . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 24' ' ' THR . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -61.21 -38.51 86.85 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.756 2.022 . . . . 0.0 114.143 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.84 -22.04 65.16 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.095 2.158 . . . . 0.0 112.736 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t 74.65 75.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.957 2.903 . . . . 0.0 107.728 -165.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.82 -44.78 80.25 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.796 2.038 . . . . 0.0 112.467 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -110.24 103.26 53.5 Favored Pre-proline 0 C--N 1.353 0.733 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.43 -21.01 30.97 Favored 'Trans proline' 0 CA--C 1.511 -0.655 0 C-N-CA 123.079 2.519 . . . . 0.0 115.719 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -82.43 -49.04 10.39 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 121.407 1.912 . . . . 0.0 112.453 167.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.4 -45.36 19.65 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.483 -0.761 . . . . 0.0 112.909 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.2 -43.22 82.65 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 121.562 -0.711 . . . . 0.0 110.454 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -65.74 -44.11 86.95 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.31 -45.06 81.63 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -137.72 126.27 23.58 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.173 1.463 . . . . 0.0 112.266 168.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.0 123.4 7.72 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 107.419 -2.272 . . . . 0.0 107.419 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -104.12 123.07 46.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.491 -2.041 . . . . 0.0 105.491 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -148.1 143.0 26.84 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.758 -1.213 . . . . 0.0 111.152 -163.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.13 41.4 3.52 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.398 1.479 . . . . 0.0 108.684 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -131.27 150.21 52.24 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 121.388 -0.82 . . . . 0.0 109.078 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 60.58 -125.21 1.0 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.138 2.575 . . . . 0.0 112.54 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -66.33 -30.65 71.09 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.261 1.682 0 O-C-N 120.339 -1.476 . . . . 0.0 114.028 -175.908 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.063 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -76.89 -5.79 49.87 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.479 1.512 . . . . 0.0 114.232 -172.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.8 mtp -72.16 113.4 9.16 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.289 1.036 . . . . 0.0 113.634 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.38 135.16 35.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -122.96 -48.38 2.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.31 -0.869 . . . . 0.0 111.741 173.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -108.42 128.12 26.21 Favored Pre-proline 0 C--N 1.354 0.784 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.63 -33.71 44.22 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.454 2.77 . . . . 0.0 116.407 -156.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.69 -46.43 5.17 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.083 1.31 . . . . 0.0 110.892 173.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.44 -45.73 89.54 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 119.903 1.229 . . . . 0.0 112.711 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -67.98 -38.52 82.8 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.99 0.814 . . . . 0.0 112.381 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.1 tp60 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.73 -44.68 89.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.55 -46.84 71.56 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 123.89 0.876 . . . . 0.0 112.519 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -114.91 126.95 55.38 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.131 1.443 . . . . 0.0 111.392 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.1 92.38 1.7 Allowed Glycine 0 C--N 1.351 1.371 0 O-C-N 120.53 -1.356 . . . . 0.0 110.059 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.1 -39.72 79.32 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.844 2.457 . . . . 0.0 113.028 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -64.95 -21.55 66.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.43 -64.77 1.06 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.066 0.947 . . . . 0.0 111.977 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -159.58 161.85 35.22 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.528 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -63.82 -42.92 97.55 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.863 0.865 . . . . 0.0 113.325 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.9 tt 74.49 121.47 0.04 OUTLIER 'General case' 0 C--N 1.358 0.957 0 C-N-CA 128.789 2.835 . . . . 0.0 110.133 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.259 1.605 0 O-C-N 119.824 -1.797 . . . . 0.0 114.72 -171.633 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -140.55 157.78 44.97 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.51 1.05 . . . . 0.0 111.367 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.3 mtt -141.41 172.27 12.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.849 1.259 . . . . 0.0 111.282 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 t -70.78 -12.96 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 124.235 1.014 . . . . 0.0 113.482 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -75.69 -22.83 56.3 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.03 0.932 . . . . 0.0 112.106 167.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -76.35 159.11 80.65 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.089 -1.007 . . . . 0.0 111.482 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.8 62.23 3.07 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.876 3.051 . . . . 0.0 110.575 163.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -151.97 23.71 0.66 Allowed 'General case' 0 C--N 1.359 0.995 1 C-N-CA 132.824 4.449 . . . . 0.0 110.972 171.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -57.02 -52.92 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.655 2.382 . . . . 0.0 109.988 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -45.18 -45.13 11.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.0 1.72 . . . . 0.0 111.966 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.65 -44.43 96.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 tp -93.12 -28.39 16.35 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -140.14 7.45 2.22 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -167.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.32 45.64 74.28 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 161.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -149.37 123.77 9.65 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.236 -1.155 . . . . 0.0 113.878 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -137.4 81.3 1.86 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.581 2.352 . . . . 0.0 104.904 159.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -74.14 -64.76 0.95 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -152.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -139.1 37.37 2.12 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.658 0.783 . . . . 0.0 112.881 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 69.41 -48.76 0.6 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 127.517 2.327 . . . . 0.0 111.987 -163.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.88 -175.95 5.62 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 125.265 1.426 . . . . 0.0 108.875 156.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.4 mt-10 . . . . . 0 CA--C 1.564 1.515 0 C-N-CA 126.592 1.957 . . . . 0.0 113.218 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 p -131.93 136.63 47.51 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.499 1.12 . . . . 0.0 108.301 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mtp -138.37 142.08 39.64 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.84 0.856 . . . . 0.0 108.905 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.3 m -76.2 -26.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 C-N-CA 124.555 1.142 . . . . 0.0 113.552 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.994 1.717 . . . . 0.0 113.288 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 m -69.7 154.13 95.03 Favored Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 126.001 1.721 . . . . 0.0 112.884 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.84 -4.8 15.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.925 3.083 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.72 -16.2 60.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.796 2.438 . . . . 0.0 111.518 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -60.1 -18.62 48.49 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.859 2.064 . . . . 0.0 114.315 -167.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.76 -39.76 85.92 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 111.563 170.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -44.83 92.79 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.84 -45.55 70.84 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -124.97 115.8 21.16 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 121.05 -1.031 . . . . 0.0 108.757 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.6 61.37 3.85 Favored Glycine 0 C--N 1.354 1.571 0 O-C-N 120.051 -1.655 . . . . 0.0 114.885 -172.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -126.87 148.69 49.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 125.151 1.38 . . . . 0.0 108.213 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -81.15 144.47 31.64 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.559 -0.713 . . . . 0.0 109.185 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.85 130.97 45.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.376 -0.828 . . . . 0.0 109.193 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.79 130.99 44.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.634 -0.667 . . . . 0.0 110.068 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.25 66.78 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.668 1.187 . . . . 0.0 112.965 163.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.79 -40.73 98.23 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.29 2.236 . . . . 0.0 113.149 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--O 1.26 1.637 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.007 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -82.15 -5.01 58.14 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.032 -1.043 . . . . 0.0 111.859 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt 72.82 -0.11 3.47 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.701 2.4 . . . . 0.0 115.925 172.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.71 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.189 1.796 . . . . 0.0 112.211 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.8 mp -63.83 -38.69 92.04 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 127.197 2.199 . . . . 0.0 112.549 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -66.03 158.11 77.63 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.682 1.993 . . . . 0.0 111.393 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.56 -11.34 31.31 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.95 2.433 . . . . 0.0 115.027 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -82.48 43.91 0.85 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.109 1.322 . . . . 0.0 112.143 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -66.65 -38.24 86.45 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.327 -1.483 . . . . 0.0 113.345 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.82 -40.54 93.15 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.027 1.731 . . . . 0.0 112.092 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.04 -43.29 95.97 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.27 -46.46 70.35 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -120.5 118.62 30.71 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.817 1.247 . . . . 0.0 108.532 -175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.67 76.36 2.25 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 120.303 -1.498 . . . . 0.0 113.151 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -71.04 124.1 23.61 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.242 1.021 . . . . 0.0 111.87 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -152.58 140.1 19.7 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.34 -71.16 0.08 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 113.778 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -132.9 -91.14 0.39 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -135.53 -50.38 0.73 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 158.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.5 mt 51.6 47.29 25.09 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 117.592 2.442 . . . . 0.0 117.592 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 C--O 1.26 1.618 0 O-C-N 120.455 -1.403 . . . . 0.0 113.579 177.124 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -79.29 156.46 28.05 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.633 -1.292 . . . . 0.0 112.474 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -87.17 137.09 32.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.331 -0.855 . . . . 0.0 109.622 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.16 145.44 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -41.57 96.07 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.051 1.341 . . . . 0.0 112.324 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -138.94 148.09 56.52 Favored Pre-proline 0 N--CA 1.447 -0.621 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.76 -15.05 19.33 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.626 2.217 . . . . 0.0 111.848 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -91.96 -45.84 8.13 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.412 1.005 . . . . 0.0 113.003 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -97.82 -48.63 5.12 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 120.613 -1.304 . . . . 0.0 111.621 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -69.24 -43.4 74.08 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 121.23 -0.918 . . . . 0.0 112.503 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -66.32 -43.35 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.46 -44.26 45.15 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.409 0.683 . . . . 0.0 111.961 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -125.85 131.85 52.31 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.64 1.51 Allowed Glycine 0 C--N 1.351 1.395 0 O-C-N 119.814 -1.803 . . . . 0.0 112.032 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -80.76 72.75 7.74 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 110.13 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t 64.08 -163.69 0.26 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 126.73 2.012 . . . . 0.0 111.773 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.72 -67.41 0.56 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.862 -1.149 . . . . 0.0 112.175 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.13 -119.29 1.11 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.9 1.68 . . . . 0.0 112.333 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.54 137.38 42.48 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.595 -1.316 . . . . 0.0 110.167 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 67.95 -48.78 0.53 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 128.268 2.627 . . . . 0.0 115.191 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.261 1.665 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -172.026 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -65.17 142.02 58.48 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.869 1.667 . . . . 0.0 113.155 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mtp -82.43 147.06 28.97 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.829 0.852 . . . . 0.0 112.72 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -99.73 -21.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 111.31 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.53 -38.83 92.37 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.864 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 96.7 p -75.73 165.65 51.62 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.65 1.98 . . . . 0.0 112.702 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 6' ' ' SER . 71.9 Cg_endo -73.3 2.11 6.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.565 2.844 . . . . 0.0 112.491 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -81.08 5.89 15.29 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.564 2.346 . . . . 0.0 111.125 171.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -59.81 -36.36 76.6 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 113.921 -171.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.75 -43.17 99.36 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.638 0.775 . . . . 0.0 112.104 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -63.9 -45.25 90.17 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.41 -46.52 76.27 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.06 0.944 . . . . 0.0 113.27 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -116.02 119.66 36.59 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.976 -1.077 . . . . 0.0 108.469 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.2 75.25 2.09 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 120.709 -1.244 . . . . 0.0 113.197 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 55.36 -127.68 2.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 127.653 2.381 . . . . 0.0 110.163 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -158.26 147.79 19.59 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.755 -3.054 . . . . 0.0 102.755 159.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 52.54 56.61 7.41 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.71 138.44 58.49 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.15 132.55 56.33 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 156.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.1 tp -66.59 -44.04 83.28 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 121.902 0.858 . . . . 0.0 112.386 -174.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.261 1.662 0 O-C-N 120.989 -1.07 . . . . 0.0 113.745 178.696 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -61.0 -43.5 98.8 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.189 1.396 . . . . 0.0 112.77 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.6 ptm -66.9 -22.96 65.95 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.74 -47.43 83.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 124.542 1.137 . . . . 0.0 113.411 -166.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt 53.2 -120.07 1.62 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -97.11 107.88 40.59 Favored Pre-proline 0 C--N 1.355 0.807 0 O-C-N 120.929 -1.107 . . . . 0.0 108.191 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -71.76 -20.47 26.25 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 C-N-CA 122.469 2.113 . . . . 0.0 113.588 -165.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -62.58 -40.01 95.51 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 114.213 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -93.76 -38.43 11.28 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.196 -0.94 . . . . 0.0 111.448 170.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -64.36 -44.43 91.44 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.8 -43.51 83.69 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.37 -44.24 68.47 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.659 -0.651 . . . . 0.0 111.845 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -133.03 123.73 26.36 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 122.304 1.049 . . . . 0.0 110.899 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.06 91.91 1.73 Allowed Glycine 0 C--N 1.351 1.398 0 O-C-N 120.51 -1.369 . . . . 0.0 111.019 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.23 57.16 2.22 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.733 1.213 . . . . 0.0 111.31 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 t -67.4 -46.61 72.73 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.275 1.43 . . . . 0.0 113.191 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.32 56.59 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 70.39 119.52 0.04 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.701 2.8 . . . . 0.0 111.427 -162.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -103.45 -45.62 4.8 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.841 -1.162 . . . . 0.0 110.924 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -147.49 158.55 44.03 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.259 1.559 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.414 -172.447 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -131.23 159.38 37.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.96 -37.03 80.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.46 1.904 . . . . 0.0 113.121 -174.225 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.67 18.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 127.175 2.19 . . . . 0.0 114.37 -168.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.17 -45.14 94.1 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.814 1.646 . . . . 0.0 113.478 -163.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -120.09 90.09 43.86 Favored Pre-proline 0 C--N 1.354 0.778 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.484 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.05 -22.03 42.11 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.127 2.551 . . . . 0.0 114.21 -169.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.19 -44.14 97.77 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.631 1.105 . . . . 0.0 112.251 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -84.65 -46.14 11.8 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.676 -0.64 . . . . 0.0 110.579 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -65.24 -44.49 88.02 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -170.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -62.68 -41.03 98.89 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.98 -45.62 88.24 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -115.79 -10.62 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.86 131.2 50.42 Favored Glycine 0 C--N 1.357 1.698 0 N-CA-C 116.896 1.519 . . . . 0.0 116.896 -155.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 44.88 55.02 6.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 128.6 2.76 . . . . 0.0 115.573 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.4 p -67.52 -9.06 38.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 115.5 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.87 74.65 2.14 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.375 1.87 . . . . 0.0 112.627 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 74.54 158.62 0.21 Allowed 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.25 2.62 . . . . 0.0 114.698 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.07 68.58 7.41 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.414 -1.429 . . . . 0.0 111.671 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.3 mt -85.28 68.68 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 122.447 1.117 . . . . 0.0 109.626 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.259 1.573 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.889 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -124.33 147.55 48.09 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.9 ptp -66.2 -36.63 83.57 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -172.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 t 48.9 47.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 127.745 2.418 . . . . 0.0 113.928 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.1 tp -105.08 -44.51 4.77 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.521 -1.362 . . . . 0.0 112.014 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -134.53 134.99 22.86 Favored Pre-proline 0 C--N 1.353 0.749 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.38 -29.25 31.85 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.656 2.237 . . . . 0.0 113.435 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -47.75 74.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.123 0.969 . . . . 0.0 112.704 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.8 -39.81 34.69 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.145 -0.972 . . . . 0.0 113.242 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.87 -43.59 92.45 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 120.525 1.511 . . . . 0.0 113.285 -174.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 26' ' ' LYS . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 24' ' ' THR . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.94 -44.75 79.82 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.42 -49.03 68.13 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -132.06 117.8 18.83 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.83 98.6 2.47 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 119.93 -1.731 . . . . 0.0 110.976 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -71.96 151.9 42.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 113.541 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.7 t -141.7 -50.53 0.41 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.332 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.44 -94.06 0.5 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 123.681 0.792 . . . . 0.0 111.329 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.64 146.06 50.68 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.343 1.057 . . . . 0.0 108.861 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mttm 54.37 -123.39 2.08 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.277 1.431 . . . . 0.0 114.411 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.19 -44.95 86.76 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.292 1.437 . . . . 0.0 113.21 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 124.145 0.978 . . . . 0.0 110.558 -177.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 . . . . . 0 CA--C 1.517 -0.302 0 CA-C-O 121.251 0.548 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m120 . . . . . 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 m120 . . . . . 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 . . . . . 0 N--CA 1.478 0.971 0 CA-C-O 121.476 0.655 . . . . 0.0 111.966 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.45 -0.441 0 N-CA-C 111.563 0.208 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 112.092 0.405 . . . . 0.0 112.092 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 . . . . . 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 . . . . . 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 . . . . . 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 . . . . . 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.404 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 . . . . . 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 CA--C 1.52 -0.195 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 26' ' ' LYS . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 24' ' ' THR . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 . . . . . 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 115.3 1.593 . . . . 0.0 115.3 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -61.21 -38.51 86.85 Favored 'General case' 0 C--N 1.358 0.965 0 C-N-CA 126.756 2.022 . . . . 0.0 114.143 -168.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 10.3 tpt -61.84 -22.04 65.16 Favored 'General case' 0 C--N 1.349 0.573 0 C-N-CA 127.095 2.158 . . . . 0.0 112.736 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.6 t 74.65 75.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.957 2.903 . . . . 0.0 107.728 -165.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 45.4 tp -66.82 -44.78 80.25 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 126.796 2.038 . . . . 0.0 112.467 -170.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -110.24 103.26 53.5 Favored Pre-proline 0 C--N 1.353 0.733 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -70.43 -21.01 30.97 Favored 'Trans proline' 0 CA--C 1.511 -0.655 0 C-N-CA 123.079 2.519 . . . . 0.0 115.719 -164.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -82.43 -49.04 10.39 Favored 'General case' 0 C--N 1.352 0.711 0 CA-C-N 121.407 1.912 . . . . 0.0 112.453 167.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -79.4 -45.36 19.65 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.483 -0.761 . . . . 0.0 112.909 -164.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -67.2 -43.22 82.65 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 121.562 -0.711 . . . . 0.0 110.454 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -63.37 -44.67 94.12 Favored 'General case' 0 C--N 1.353 0.752 0 C-N-CA 125.603 1.561 . . . . 0.0 111.451 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 92.9 m -63.77 -44.71 92.59 Favored 'General case' 0 C--N 1.36 1.039 0 C-N-CA 124.52 1.128 . . . . 0.0 111.839 173.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.3 tt -61.79 -47.14 86.5 Favored 'General case' 0 C--N 1.359 0.987 0 O-C-N 121.35 -0.844 . . . . 0.0 112.632 -178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.4 m -68.28 -36.36 74.75 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 O-C-N 121.789 -0.569 . . . . 0.0 112.421 -178.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 19.0 tpp85 -64.8 -50.74 65.56 Favored 'General case' 0 C--N 1.358 0.975 0 O-C-N 121.356 -0.84 . . . . 0.0 112.812 171.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -67.44 -43.83 80.18 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 -176.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.9 p -65.33 -38.57 82.89 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 CA-C-N 119.625 1.102 . . . . 0.0 113.381 -177.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -75.83 -42.95 48.25 Favored 'General case' 0 N--CA 1.446 -0.654 0 O-C-N 120.902 -1.124 . . . . 0.0 113.816 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 44.6 mm -68.04 -45.64 83.13 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.863 -1.148 . . . . 0.0 112.815 174.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.6 m120 -110.77 101.07 48.35 Favored Pre-proline 0 C--N 1.355 0.84 0 O-C-N 120.705 -1.247 . . . . 0.0 110.038 -177.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -72.37 -8.43 22.65 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 123.703 2.935 . . . . 0.0 112.257 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -61.67 -38.08 86.43 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 128.407 2.683 . . . . 0.0 112.853 171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -61.28 129.86 43.35 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 125.395 1.478 . . . . 0.0 113.122 -171.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.0 t -129.57 174.65 9.47 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 124.045 0.938 . . . . 0.0 109.792 -173.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.85 74.06 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 127.087 2.155 . . . . 0.0 113.749 -171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.3 mttt -61.87 -39.32 91.47 Favored 'General case' 0 C--N 1.351 0.644 0 C-N-CA 125.822 1.649 . . . . 0.0 112.441 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -65.08 -44.55 88.53 Favored 'General case' 0 C--N 1.357 0.918 0 O-C-N 121.097 -1.002 . . . . 0.0 111.223 173.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.5 mt -65.41 -45.14 85.13 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 125.199 1.4 . . . . 0.0 113.257 -175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.71 -39.47 84.87 Favored 'Isoleucine or valine' 0 C--N 1.357 0.923 0 O-C-N 121.024 -1.048 . . . . 0.0 112.664 175.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.2 tttm -63.37 -43.6 97.17 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 124.194 0.998 . . . . 0.0 112.565 177.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 76.5 mtm -63.44 -41.38 98.66 Favored 'General case' 0 C--N 1.358 0.937 0 O-C-N 120.924 -1.11 . . . . 0.0 113.75 172.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 67.5 mt -62.0 -45.15 94.88 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 120.891 -1.131 . . . . 0.0 113.438 179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -69.31 -31.39 69.83 Favored 'General case' 0 C--N 1.358 0.941 0 O-C-N 121.102 -0.999 . . . . 0.0 113.662 173.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -64.75 -43.25 93.96 Favored 'General case' 0 C--N 1.358 0.972 0 C-N-CA 124.347 1.059 . . . . 0.0 112.736 174.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -63.23 -43.43 98.09 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 123.954 0.902 . . . . 0.0 111.548 169.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 102.2 20.98 11.31 Favored Glycine 0 C--N 1.355 1.623 0 O-C-N 121.678 -0.639 . . . . 0.0 112.914 178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -102.69 127.4 49.84 Favored 'General case' 0 C--N 1.35 0.596 0 N-CA-C 107.078 -1.453 . . . . 0.0 107.078 -176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -81.05 115.01 20.3 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 120.805 -1.184 . . . . 0.0 110.202 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 68.8 t -131.43 133.21 62.26 Favored 'Isoleucine or valine' 0 C--N 1.347 0.492 0 N-CA-C 105.713 -1.958 . . . . 0.0 105.713 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 43.6 t -68.36 146.49 53.2 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 121.181 -0.949 . . . . 0.0 112.336 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -63.13 -39.11 83.97 Favored 'Isoleucine or valine' 0 C--N 1.351 0.673 0 C-N-CA 124.844 1.258 . . . . 0.0 111.495 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 67.2 m -60.1 -41.42 92.5 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.461 -1.399 . . . . 0.0 113.764 -175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.2 t -66.15 -36.94 84.45 Favored 'General case' 0 C--N 1.358 0.971 0 O-C-N 120.81 -1.181 . . . . 0.0 112.781 174.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.6 -45.81 97.9 Favored 'Isoleucine or valine' 0 C--N 1.361 1.103 0 C-N-CA 124.277 1.031 . . . . 0.0 110.45 172.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.67 -44.59 93.33 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 120.996 -1.065 . . . . 0.0 111.971 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 91.6 mtt-85 -64.21 -42.24 96.69 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 173.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.22 -31.14 52.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 CA-C-N 120.467 1.485 . . . . 0.0 112.661 177.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.51 -42.54 98.95 Favored 'General case' 0 C--N 1.36 1.054 0 O-C-N 120.35 -1.469 . . . . 0.0 112.935 169.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -63.05 -41.58 99.51 Favored 'General case' 0 C--N 1.357 0.932 0 O-C-N 120.732 -1.23 . . . . 0.0 112.836 171.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -60.73 -43.54 97.77 Favored 'General case' 0 C--N 1.355 0.845 0 O-C-N 120.802 -1.186 . . . . 0.0 113.06 176.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -75.5 -21.35 58.1 Favored 'General case' 0 C--N 1.351 0.674 0 N-CA-C 114.327 1.232 . . . . 0.0 114.327 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -65.74 -44.11 86.95 Favored 'General case' 0 C--N 1.355 0.848 0 O-C-N 120.486 -1.384 . . . . 0.0 112.437 164.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -66.31 -45.06 81.63 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 116.088 1.884 . . . . 0.0 116.088 172.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -137.72 126.27 23.58 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-O 123.173 1.463 . . . . 0.0 112.266 168.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.0 123.4 7.72 Favored Glycine 0 C--N 1.347 1.156 0 N-CA-C 107.419 -2.272 . . . . 0.0 107.419 168.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -104.12 123.07 46.61 Favored 'General case' 0 N--CA 1.446 -0.673 0 N-CA-C 105.491 -2.041 . . . . 0.0 105.491 -174.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 39.3 t -148.1 143.0 26.84 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 120.758 -1.213 . . . . 0.0 111.152 -163.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -125.13 41.4 3.52 Favored 'General case' 0 C--N 1.351 0.674 0 C-N-CA 125.398 1.479 . . . . 0.0 108.684 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -131.27 150.21 52.24 Favored 'General case' 0 N--CA 1.444 -0.771 0 O-C-N 121.388 -0.82 . . . . 0.0 109.078 -173.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 83.1 mttt 60.58 -125.21 1.0 Allowed 'General case' 0 C--N 1.354 0.763 0 C-N-CA 128.138 2.575 . . . . 0.0 112.54 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' H ' HD23 ' A' ' 61' ' ' LEU . 2.6 pt? -66.33 -30.65 71.09 Favored 'General case' 0 C--N 1.35 0.605 0 N-CA-C 117.147 2.277 . . . . 0.0 117.147 -173.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.261 1.682 0 O-C-N 120.339 -1.476 . . . . 0.0 114.028 -175.908 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.063 0 N-CA-C 116.507 2.04 . . . . 0.0 116.507 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.3 m -76.89 -5.79 49.87 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 125.479 1.512 . . . . 0.0 114.232 -172.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 94.8 mtp -72.16 113.4 9.16 Favored 'General case' 0 C--N 1.349 0.551 0 C-N-CA 124.289 1.036 . . . . 0.0 113.634 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.9 p -140.38 135.16 35.72 Favored 'Isoleucine or valine' 0 C--N 1.35 0.625 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 166.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -122.96 -48.38 2.01 Favored 'General case' 0 C--N 1.353 0.758 0 O-C-N 121.31 -0.869 . . . . 0.0 111.741 173.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -108.42 128.12 26.21 Favored Pre-proline 0 C--N 1.354 0.784 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -65.63 -33.71 44.22 Favored 'Trans proline' 0 CA--C 1.515 -0.441 0 C-N-CA 123.454 2.77 . . . . 0.0 116.407 -156.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -100.69 -46.43 5.17 Favored 'General case' 0 C--N 1.382 2.004 0 CA-C-N 120.083 1.31 . . . . 0.0 110.892 173.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -63.44 -45.73 89.54 Favored 'General case' 0 C--N 1.348 0.507 0 CA-C-N 119.903 1.229 . . . . 0.0 112.711 -170.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -67.98 -38.52 82.8 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-N 118.99 0.814 . . . . 0.0 112.381 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.13 -46.39 90.76 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-N 118.968 0.803 . . . . 0.0 111.98 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.1 m -66.93 -45.59 77.38 Favored 'General case' 0 C--N 1.36 1.056 0 O-C-N 121.161 -0.962 . . . . 0.0 112.209 173.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.4 tp -60.25 -46.91 88.14 Favored 'General case' 0 C--N 1.361 1.089 0 O-C-N 120.768 -1.208 . . . . 0.0 114.242 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 64.2 t -64.19 -45.85 95.14 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 O-C-N 121.546 -0.721 . . . . 0.0 111.673 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -66.99 -47.07 72.65 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 172.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -66.74 -44.58 81.1 Favored 'General case' 0 C--N 1.353 0.747 0 O-C-N 121.076 -1.015 . . . . 0.0 112.174 -169.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 90.9 t -64.99 -39.6 86.26 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 C-N-CA 125.678 1.591 . . . . 0.0 111.447 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.9 tp-100 -62.51 -43.67 98.24 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.932 -1.105 . . . . 0.0 111.148 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.8 mm -67.38 -46.75 82.95 Favored 'Isoleucine or valine' 0 C--N 1.358 0.952 0 C-N-CA 124.258 1.023 . . . . 0.0 112.601 172.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -128.53 84.7 62.38 Favored Pre-proline 0 C--N 1.354 0.782 0 O-C-N 121.054 -1.029 . . . . 0.0 109.939 -172.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.47 -6.63 17.95 Favored 'Trans proline' 0 CA--C 1.519 -0.274 0 C-N-CA 123.252 2.635 . . . . 0.0 113.861 -174.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 55.9 ttp85 -63.74 -37.68 88.26 Favored 'General case' 0 C--N 1.352 0.688 0 C-N-CA 126.148 1.779 . . . . 0.0 112.65 175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.1 t -65.21 157.89 27.63 Favored 'General case' 0 C--N 1.358 0.943 0 CA-C-O 122.56 1.171 . . . . 0.0 113.923 -166.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 13.5 t -135.37 175.28 9.73 Favored 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.922 -1.111 . . . . 0.0 110.273 -165.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.12 -29.35 68.56 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 127.307 2.243 . . . . 0.0 114.778 -167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.63 -40.44 94.87 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.078 1.351 . . . . 0.0 112.327 175.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -66.66 -43.76 83.68 Favored 'General case' 0 C--N 1.355 0.809 0 O-C-N 121.149 -0.969 . . . . 0.0 111.245 173.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.84 -45.36 94.16 Favored 'General case' 0 C--N 1.358 0.956 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.89 -41.41 92.55 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 CA-C-N 120.096 1.316 . . . . 0.0 113.311 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.1 tttm -64.02 -45.67 87.89 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.683 -1.261 . . . . 0.0 112.185 174.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 45.6 ttp -64.46 -44.29 91.55 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 178.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 pp -67.82 -35.4 78.55 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 120.629 -1.294 . . . . 0.0 113.482 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -65.26 -42.56 93.15 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 121.107 -0.995 . . . . 0.0 112.967 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.76 -43.0 99.94 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 123.911 0.884 . . . . 0.0 112.433 173.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.5 m -63.37 -43.96 96.15 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 125.133 1.373 . . . . 0.0 112.638 175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.97 18.62 11.98 Favored Glycine 0 C--N 1.356 1.675 0 O-C-N 121.364 -0.835 . . . . 0.0 114.305 177.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.6 m -115.48 126.07 53.85 Favored 'General case' 0 CA--C 1.506 -0.731 0 N-CA-C 107.375 -1.343 . . . . 0.0 107.375 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -95.95 128.43 42.84 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 121.308 -0.87 . . . . 0.0 110.916 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.77 161.96 39.47 Favored 'Isoleucine or valine' 0 C--N 1.349 0.576 0 C-N-CA 125.085 1.354 . . . . 0.0 107.372 171.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 m -68.91 145.12 53.93 Favored 'General case' 0 C--N 1.349 0.567 0 CA-C-O 121.749 0.785 . . . . 0.0 113.005 172.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.82 -42.9 97.4 Favored 'Isoleucine or valine' 0 C--N 1.354 0.791 0 C-N-CA 125.022 1.329 . . . . 0.0 112.387 178.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 66.1 m -61.93 -42.07 98.67 Favored 'General case' 0 C--N 1.351 0.648 0 O-C-N 120.506 -1.371 . . . . 0.0 113.896 -174.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.9 t -66.76 -39.47 87.88 Favored 'General case' 0 C--N 1.356 0.876 0 O-C-N 121.087 -1.008 . . . . 0.0 112.791 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.5 m -69.65 -37.16 73.55 Favored 'Isoleucine or valine' 0 C--N 1.36 1.042 0 O-C-N 119.882 -1.762 . . . . 0.0 111.22 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -62.43 -42.98 99.85 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 124.251 1.02 . . . . 0.0 112.271 171.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -59.82 -45.41 92.46 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 125.84 1.656 . . . . 0.0 112.326 177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.7 t -62.53 -44.36 99.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.852 0 C-N-CA 124.525 1.13 . . . . 0.0 111.844 176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.9 -45.58 93.12 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 121.08 -1.013 . . . . 0.0 112.912 172.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -62.9 -45.64 91.55 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 124.356 1.062 . . . . 0.0 111.314 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 mtt-85 -63.09 -44.06 96.76 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -64.09 -36.05 82.74 Favored 'General case' 0 C--N 1.352 0.709 0 CA-C-N 119.617 1.098 . . . . 0.0 112.108 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.73 -44.68 89.36 Favored 'General case' 0 C--N 1.354 0.796 0 O-C-N 119.662 -1.899 . . . . 0.0 113.175 169.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.55 -46.84 71.56 Favored 'General case' 0 C--N 1.359 1.019 0 C-N-CA 123.89 0.876 . . . . 0.0 112.519 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -114.91 126.95 55.38 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 123.131 1.443 . . . . 0.0 111.392 177.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.1 92.38 1.7 Allowed Glycine 0 C--N 1.351 1.371 0 O-C-N 120.53 -1.356 . . . . 0.0 110.059 176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -58.1 -39.72 79.32 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 127.844 2.457 . . . . 0.0 113.028 -166.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.8 p -64.95 -21.55 66.85 Favored 'General case' 0 C--N 1.349 0.578 0 N-CA-C 115.406 1.632 . . . . 0.0 115.406 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.43 -64.77 1.06 Allowed 'General case' 0 C--N 1.355 0.825 0 C-N-CA 124.066 0.947 . . . . 0.0 111.977 -179.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 35.0 ptt-85 -159.58 161.85 35.22 Favored 'General case' 0 C--N 1.354 0.785 0 O-C-N 121.228 -0.92 . . . . 0.0 110.528 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -63.82 -42.92 97.55 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 123.863 0.865 . . . . 0.0 113.325 171.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.9 tt 74.49 121.47 0.04 OUTLIER 'General case' 0 C--N 1.358 0.957 0 C-N-CA 128.789 2.835 . . . . 0.0 110.133 -171.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 . . . . . 0 C--O 1.259 1.605 0 O-C-N 119.824 -1.797 . . . . 0.0 114.72 -171.633 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.3 p -140.55 157.78 44.97 Favored 'General case' 0 N--CA 1.484 1.24 0 CA-C-N 119.51 1.05 . . . . 0.0 111.367 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.3 mtt -141.41 172.27 12.92 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 124.849 1.259 . . . . 0.0 111.282 -176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.8 t -70.78 -12.96 16.66 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 124.235 1.014 . . . . 0.0 113.482 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.2 tt -75.69 -22.83 56.3 Favored 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 124.03 0.932 . . . . 0.0 112.106 167.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 m -76.35 159.11 80.65 Favored Pre-proline 0 CA--C 1.539 0.533 0 O-C-N 121.089 -1.007 . . . . 0.0 111.482 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -71.8 62.23 3.07 Favored 'Trans proline' 0 CA--C 1.554 1.514 0 C-N-CA 123.876 3.051 . . . . 0.0 110.575 163.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -151.97 23.71 0.66 Allowed 'General case' 0 C--N 1.359 0.995 1 C-N-CA 132.824 4.449 . . . . 0.0 110.972 171.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -57.02 -52.92 63.35 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.655 2.382 . . . . 0.0 109.988 175.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.0 tm-20 -45.18 -45.13 11.38 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 126.0 1.72 . . . . 0.0 111.966 173.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.2 tpt180 -69.19 -28.05 66.04 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.178 0.991 . . . . 0.0 112.67 -173.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 17.3 m -84.85 -44.99 12.73 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.364 1.065 . . . . 0.0 111.107 172.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -55.06 -58.33 8.1 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 128.163 2.585 . . . . 0.0 111.558 -179.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.54 -45.09 99.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 C-N-CA 124.314 1.046 . . . . 0.0 110.735 -177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -73.09 -33.65 65.74 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 117.418 -1.277 . . . . 0.0 112.869 -178.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -63.08 -47.29 83.55 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-N 119.916 1.235 . . . . 0.0 110.756 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.63 -39.17 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.794 0.838 . . . . 0.0 111.19 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.19 -19.79 65.62 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.2 pt -101.7 -32.75 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-N 118.78 0.718 . . . . 0.0 112.68 169.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -115.67 76.3 5.62 Favored Pre-proline 0 CA--C 1.545 0.758 0 C-N-CA 124.845 1.258 . . . . 0.0 109.527 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -66.62 -6.3 15.07 Favored 'Trans proline' 0 CA--C 1.546 1.079 0 C-N-CA 123.516 2.811 . . . . 0.0 113.72 -178.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.6 mtt85 -80.26 -9.71 59.74 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.911 1.284 . . . . 0.0 113.241 170.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.2 m -65.48 115.89 6.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.468 1.107 . . . . 0.0 110.449 -177.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.6 p -94.92 175.98 6.43 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 123.114 1.435 . . . . 0.0 113.035 -174.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.46 -14.66 52.98 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 120.409 -1.432 . . . . 0.0 114.408 172.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -86.99 -35.73 18.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.254 1.388 . . . . 0.0 112.767 176.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -56.68 -32.82 65.8 Favored 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 124.894 1.278 . . . . 0.0 110.883 164.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -82.77 -28.96 30.0 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 117.153 -1.403 . . . . 0.0 113.768 178.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 46.2 t -55.43 -57.45 7.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 CA-C-N 120.378 1.445 . . . . 0.0 108.594 164.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.2 mttm -50.36 -57.98 6.72 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.634 1.174 . . . . 0.0 112.404 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 25.9 ttp -67.7 9.36 0.27 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -177.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 85.9 mt -125.24 -41.45 2.06 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.909 1.684 . . . . 0.0 110.76 172.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -61.08 -45.14 95.95 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 128.145 2.578 . . . . 0.0 110.975 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -68.69 -3.29 11.54 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 127.103 2.161 . . . . 0.0 113.18 176.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.6 p -132.9 9.73 4.2 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 114.856 1.428 . . . . 0.0 114.856 169.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.76 50.08 Favored Glycine 0 CA--C 1.547 2.039 0 N-CA-C 115.981 1.152 . . . . 0.0 115.981 -178.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.2 m -74.28 121.84 21.94 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 119.023 1.411 . . . . 0.0 111.881 -170.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -73.63 70.83 1.36 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.799 1.24 . . . . 0.0 113.728 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.8 t -119.69 133.63 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 125.543 1.537 . . . . 0.0 109.867 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.5 t -79.08 124.9 28.73 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 121.178 -0.951 . . . . 0.0 111.999 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.3 mm -54.7 -30.01 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.935 0 C-N-CA 123.963 0.905 . . . . 0.0 111.201 170.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.4 p -74.28 -16.02 60.95 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 177.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 t -95.12 -41.7 8.97 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 120.069 1.304 . . . . 0.0 112.151 175.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.1 m -59.84 -35.66 61.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 O-C-N 121.062 -1.024 . . . . 0.0 111.955 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -58.91 -25.0 63.02 Favored 'General case' 0 N--CA 1.482 1.158 0 O-C-N 120.626 -1.296 . . . . 0.0 113.615 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.0 mtt180 -87.29 -36.43 17.89 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.92 1.288 . . . . 0.0 111.412 175.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.35 -46.31 95.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 124.045 0.938 . . . . 0.0 110.537 173.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 94.4 mt -51.09 -48.67 61.61 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.934 0.894 . . . . 0.0 111.619 172.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -67.67 -40.77 84.43 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mtm180 -66.27 -34.41 77.93 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 120.622 -1.299 . . . . 0.0 112.538 176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 64.0 t-80 -65.73 -49.24 69.17 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.064 0.847 . . . . 0.0 110.301 170.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -61.65 -44.43 96.98 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.656 1.182 . . . . 0.0 112.401 -175.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 54.7 tp -93.12 -28.39 16.35 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 -173.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.4 tptp -140.14 7.45 2.22 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 115.907 1.818 . . . . 0.0 115.907 -167.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.32 45.64 74.28 Favored Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.791 1.076 . . . . 0.0 115.791 161.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.2 tpp85 -149.37 123.77 9.65 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.236 -1.155 . . . . 0.0 113.878 -177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.8 t -137.4 81.3 1.86 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.581 2.352 . . . . 0.0 104.904 159.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.613 ' HB3' ' HB2' ' A' ' 62' ' ' GLU . . . -74.14 -64.76 0.95 Allowed 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -152.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.9 mtt-85 -139.1 37.37 2.12 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.658 0.783 . . . . 0.0 112.881 -175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.2 mttt 69.41 -48.76 0.6 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 127.517 2.327 . . . . 0.0 111.987 -163.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 42.0 mt -80.88 -175.95 5.62 Favored 'General case' 0 C--O 1.246 0.877 0 C-N-CA 125.265 1.426 . . . . 0.0 108.875 156.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.613 ' HB2' ' HB3' ' A' ' 58' ' ' ALA . 26.4 mt-10 . . . . . 0 CA--C 1.564 1.515 0 C-N-CA 126.592 1.957 . . . . 0.0 113.218 -173.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.0 p -131.93 136.63 47.51 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 124.499 1.12 . . . . 0.0 108.301 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.1 mtp -138.37 142.08 39.64 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 123.84 0.856 . . . . 0.0 108.905 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.3 m -76.2 -26.17 17.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.588 0 C-N-CA 124.555 1.142 . . . . 0.0 113.552 176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.79 -44.34 90.27 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.994 1.717 . . . . 0.0 113.288 176.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 m -69.7 154.13 95.03 Favored Pre-proline 0 C--N 1.351 0.632 0 C-N-CA 126.001 1.721 . . . . 0.0 112.884 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -70.84 -4.8 15.48 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.925 3.083 . . . . 0.0 112.234 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -63.72 -16.2 60.5 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 127.796 2.438 . . . . 0.0 111.518 169.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.1 p-10 -60.1 -18.62 48.49 Favored 'General case' 0 C--N 1.364 1.228 0 C-N-CA 126.859 2.064 . . . . 0.0 114.315 -167.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -59.76 -39.76 85.92 Favored 'General case' 0 C--N 1.353 0.72 0 C-N-CA 125.603 1.561 . . . . 0.0 111.563 170.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.16 -45.27 95.33 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 125.367 1.467 . . . . 0.0 110.603 178.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 91.3 m -62.98 -45.13 93.89 Favored 'General case' 0 C--N 1.357 0.925 0 C-N-CA 125.514 1.526 . . . . 0.0 111.426 174.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -62.38 -45.0 95.14 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.72 1.208 . . . . 0.0 110.606 -177.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.0 -43.03 98.84 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.885 1.274 . . . . 0.0 112.386 177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 39.2 ttp-105 -62.76 -44.08 97.13 Favored 'General case' 0 C--N 1.357 0.924 0 O-C-N 120.801 -1.187 . . . . 0.0 113.349 171.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.8 mmtt -60.9 -45.23 95.46 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -68.05 -28.27 40.48 Favored 'Isoleucine or valine' 0 C--N 1.353 0.757 0 O-C-N 120.51 -1.369 . . . . 0.0 114.101 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -67.09 -44.41 80.09 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 121.078 -1.014 . . . . 0.0 113.303 168.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -67.23 -45.91 85.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 124.433 1.093 . . . . 0.0 112.567 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -126.61 75.4 74.7 Favored Pre-proline 0 CA--C 1.543 0.691 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 -175.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.9 -6.82 18.6 Favored 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 124.456 3.437 . . . . 0.0 115.371 -165.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' H ' ' HD3' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -66.58 -16.84 64.46 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.982 1.265 . . . . 0.0 113.613 172.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.4 m -62.25 127.09 29.69 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 126.165 1.786 . . . . 0.0 112.878 -176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.9 m -119.46 162.44 18.86 Favored 'General case' 0 C--N 1.353 0.741 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -173.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.02 -19.84 47.45 Favored 'General case' 0 C--N 1.359 1.002 0 C-N-CA 126.036 1.735 . . . . 0.0 114.733 -174.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -59.39 -41.22 88.91 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 126.003 1.721 . . . . 0.0 112.255 168.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -65.23 -41.75 94.09 Favored 'General case' 0 C--N 1.353 0.732 0 O-C-N 120.531 -1.356 . . . . 0.0 111.27 174.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.53 -45.08 92.22 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 124.111 0.965 . . . . 0.0 112.531 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.7 p -62.47 -39.03 82.87 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 CA-C-N 119.563 1.074 . . . . 0.0 112.368 177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.357 0.91 0 O-C-N 120.991 -1.068 . . . . 0.0 113.136 174.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 57.4 mtm -67.44 -45.96 74.51 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 120.907 -1.121 . . . . 0.0 113.463 176.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.42 -44.95 77.52 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 124.263 1.025 . . . . 0.0 113.663 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.04 -42.49 84.73 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 121.507 -0.746 . . . . 0.0 112.791 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -63.78 -41.72 97.9 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 123.862 0.865 . . . . 0.0 112.938 173.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.9 m -63.69 -43.91 95.25 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 123.764 0.826 . . . . 0.0 111.985 173.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 96.3 25.96 11.76 Favored Glycine 0 C--N 1.355 1.631 0 O-C-N 121.558 -0.714 . . . . 0.0 112.558 -176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.3 m -96.75 128.64 43.89 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.34 77.8 9.74 Favored 'General case' 0 C--N 1.354 0.772 0 O-C-N 120.768 -1.207 . . . . 0.0 112.391 -171.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.7 t -116.47 133.18 63.87 Favored 'Isoleucine or valine' 0 C--N 1.348 0.502 0 C-N-CA 125.781 1.633 . . . . 0.0 107.974 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.1 t -77.71 146.02 36.22 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-O 122.286 1.041 . . . . 0.0 113.004 -177.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.9 mm -63.78 -42.54 96.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.858 0 C-N-CA 126.049 1.74 . . . . 0.0 110.729 176.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -62.43 -44.04 97.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.35 1.06 . . . . 0.0 112.12 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 65.8 p -67.99 -39.84 83.19 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.7 m -66.7 -37.42 79.48 Favored 'Isoleucine or valine' 0 C--N 1.362 1.15 0 CA-C-N 119.708 1.14 . . . . 0.0 112.172 174.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -62.34 -46.08 90.31 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 120.947 -1.096 . . . . 0.0 113.68 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 48.1 mtm180 -64.75 -43.59 92.82 Favored 'General case' 0 C--N 1.356 0.859 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.8 p -65.46 -37.18 79.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.058 0 CA-C-N 120.505 1.502 . . . . 0.0 112.476 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 62.3 mt -62.06 -44.18 97.23 Favored 'General case' 0 C--N 1.361 1.068 0 O-C-N 120.671 -1.268 . . . . 0.0 113.077 171.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -61.84 -46.52 89.13 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 121.275 -0.891 . . . . 0.0 112.539 174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -63.15 -45.34 92.36 Favored 'General case' 0 C--N 1.358 0.944 0 N-CA-C 113.726 1.01 . . . . 0.0 113.726 176.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -69.01 -32.65 72.34 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 176.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.62 -44.83 92.79 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 120.427 -1.421 . . . . 0.0 111.514 169.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.84 -45.55 70.84 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 176.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -124.97 115.8 21.16 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 121.05 -1.031 . . . . 0.0 108.757 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -88.6 61.37 3.85 Favored Glycine 0 C--N 1.354 1.571 0 O-C-N 120.051 -1.655 . . . . 0.0 114.885 -172.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -126.87 148.69 49.99 Favored 'General case' 0 CA--C 1.511 -0.548 0 C-N-CA 125.151 1.38 . . . . 0.0 108.213 175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 44.6 t -81.15 144.47 31.64 Favored 'General case' 0 C--N 1.352 0.698 0 O-C-N 121.559 -0.713 . . . . 0.0 109.185 170.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.85 130.97 45.28 Favored 'General case' 0 N--CA 1.444 -0.725 0 O-C-N 121.376 -0.828 . . . . 0.0 109.193 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -130.79 130.99 44.4 Favored 'General case' 0 CA--C 1.508 -0.656 0 O-C-N 121.634 -0.667 . . . . 0.0 110.068 -177.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.57 -28.25 66.78 Favored 'General case' 0 C--N 1.352 0.714 0 C-N-CA 124.668 1.187 . . . . 0.0 112.965 163.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.2 tt -62.79 -40.73 98.23 Favored 'General case' 0 C--N 1.352 0.7 0 C-N-CA 127.29 2.236 . . . . 0.0 113.149 176.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 . . . . . 0 C--O 1.26 1.637 0 N-CA-C 114.604 1.335 . . . . 0.0 114.604 -169.007 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 115.796 1.776 . . . . 0.0 115.796 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -82.15 -5.01 58.14 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 121.032 -1.043 . . . . 0.0 111.859 -176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.4 mtt 72.82 -0.11 3.47 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.701 2.4 . . . . 0.0 115.925 172.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.71 -41.34 90.22 Favored 'Isoleucine or valine' 0 C--N 1.353 0.744 0 C-N-CA 126.189 1.796 . . . . 0.0 112.211 -178.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 HD12 ' H ' ' A' ' 5' ' ' LEU . 5.8 mp -63.83 -38.69 92.04 Favored 'General case' 0 C--N 1.349 0.576 0 C-N-CA 127.197 2.199 . . . . 0.0 112.549 -177.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.5 m -66.03 158.11 77.63 Favored Pre-proline 0 C--N 1.351 0.647 0 C-N-CA 126.682 1.993 . . . . 0.0 111.393 172.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -66.56 -11.34 31.31 Favored 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.95 2.433 . . . . 0.0 115.027 -171.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -82.48 43.91 0.85 Allowed 'General case' 0 C--N 1.351 0.634 0 CA-C-N 120.109 1.322 . . . . 0.0 112.143 175.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 54.5 p-10 -66.65 -38.24 86.45 Favored 'General case' 0 C--N 1.355 0.837 0 O-C-N 120.327 -1.483 . . . . 0.0 113.345 -179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.82 -40.54 93.15 Favored 'General case' 0 C--N 1.354 0.79 0 C-N-CA 126.027 1.731 . . . . 0.0 112.092 175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -60.97 -47.2 87.54 Favored 'General case' 0 C--N 1.358 0.97 0 C-N-CA 124.676 1.19 . . . . 0.0 112.077 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 95.1 m -63.92 -44.72 92.07 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 121.301 -0.874 . . . . 0.0 111.597 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.7 tt -62.63 -46.24 89.16 Favored 'General case' 0 C--N 1.352 0.695 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.5 p -69.19 -36.34 72.46 Favored 'Isoleucine or valine' 0 C--N 1.359 0.982 0 O-C-N 121.084 -1.01 . . . . 0.0 112.931 175.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 49.4 ttt85 -62.36 -46.1 90.21 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 120.149 -1.594 . . . . 0.0 112.65 174.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.7 tptm -62.71 -44.56 95.92 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 124.008 0.923 . . . . 0.0 112.618 -172.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.9 m -68.07 -34.88 69.37 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 C-N-CA 124.212 1.005 . . . . 0.0 113.266 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -67.6 -43.47 80.4 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 120.753 -1.217 . . . . 0.0 113.44 172.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 45.4 mm -66.13 -46.06 88.7 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 O-C-N 121.277 -0.889 . . . . 0.0 112.31 174.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -117.09 84.49 16.74 Favored Pre-proline 0 C--N 1.357 0.899 0 O-C-N 121.183 -0.948 . . . . 0.0 111.122 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.0 Cg_endo -69.82 -11.35 30.58 Favored 'Trans proline' 0 CA--C 1.51 -0.717 0 C-N-CA 124.4 3.4 . . . . 0.0 112.546 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.6 -25.53 65.81 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 127.576 2.35 . . . . 0.0 110.957 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 79.3 p -76.81 160.65 29.1 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 124.604 1.162 . . . . 0.0 113.1 -175.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -123.72 170.18 10.76 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 120.971 -1.081 . . . . 0.0 109.061 -177.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.53 -31.39 67.89 Favored 'General case' 0 C--N 1.356 0.849 0 C-N-CA 124.899 1.279 . . . . 0.0 113.648 -179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -63.12 -27.95 69.73 Favored 'General case' 0 C--N 1.352 0.706 0 N-CA-C 114.365 1.246 . . . . 0.0 114.365 175.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -64.53 -43.49 93.86 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 120.56 -1.337 . . . . 0.0 111.522 170.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.0 mp -66.69 -41.68 87.68 Favored 'General case' 0 C--N 1.353 0.745 0 C-N-CA 125.55 1.54 . . . . 0.0 112.939 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.611 HG12 HD12 ' A' ' 41' ' ' ILE . 23.0 m -64.25 -38.6 82.92 Favored 'Isoleucine or valine' 0 C--N 1.362 1.131 0 CA-C-N 119.739 1.154 . . . . 0.0 111.908 -175.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -63.43 -44.8 93.54 Favored 'General case' 0 C--N 1.36 1.064 0 O-C-N 121.481 -0.762 . . . . 0.0 111.767 173.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.4 tmm? -61.01 -46.38 91.01 Favored 'General case' 0 C--N 1.354 0.768 0 C-N-CA 125.194 1.398 . . . . 0.0 113.868 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 21.3 mt -65.83 -42.78 90.1 Favored 'General case' 0 C--N 1.346 0.45 0 C-N-CA 124.8 1.24 . . . . 0.0 112.721 176.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -64.61 -45.08 88.45 Favored 'General case' 0 C--N 1.358 0.947 0 O-C-N 120.914 -1.116 . . . . 0.0 113.973 172.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.72 -42.02 99.45 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.696 1.598 . . . . 0.0 112.783 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 65.5 p -77.52 -12.03 59.92 Favored 'General case' 0 C--N 1.351 0.649 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 78.44 35.72 32.28 Favored Glycine 0 C--N 1.354 1.541 0 N-CA-C 115.03 0.772 . . . . 0.0 115.03 172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.5 t -109.86 145.62 36.48 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-N 118.257 1.028 . . . . 0.0 109.473 -177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -97.21 101.76 13.38 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 120.828 -1.17 . . . . 0.0 108.563 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.2 t -130.7 133.05 63.9 Favored 'Isoleucine or valine' 0 C--N 1.35 0.6 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 -177.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 45.3 t -69.34 128.68 37.43 Favored 'General case' 0 C--N 1.358 0.967 0 O-C-N 120.981 -1.075 . . . . 0.0 112.117 176.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.611 HD12 HG12 ' A' ' 29' ' ' VAL . 41.9 mm -64.63 -41.22 91.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.771 0 C-N-CA 125.866 1.666 . . . . 0.0 111.703 -178.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.7 t -60.84 -43.04 98.81 Favored 'General case' 0 C--N 1.355 0.842 0 C-N-CA 124.484 1.114 . . . . 0.0 111.437 179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.7 m -62.02 -44.58 96.42 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 124.467 1.107 . . . . 0.0 111.213 175.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.6 -45.79 97.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 C-N-CA 124.273 1.029 . . . . 0.0 112.783 176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -62.11 -41.84 98.63 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 121.375 -0.828 . . . . 0.0 112.754 176.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 70.6 ttt-85 -60.27 -39.31 86.36 Favored 'General case' 0 C--N 1.357 0.917 0 C-N-CA 124.49 1.116 . . . . 0.0 112.99 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.76 -43.21 91.14 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 O-C-N 120.879 -1.138 . . . . 0.0 112.986 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 8.0 mp -62.24 -43.81 97.98 Favored 'General case' 0 C--N 1.36 1.04 0 O-C-N 120.79 -1.194 . . . . 0.0 112.281 175.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -63.52 -42.5 98.46 Favored 'General case' 0 C--N 1.354 0.774 0 O-C-N 121.113 -0.992 . . . . 0.0 113.584 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -62.45 -46.11 90.0 Favored 'General case' 0 C--N 1.355 0.824 0 CA-C-N 119.516 1.053 . . . . 0.0 112.478 -179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.56 -37.71 87.48 Favored 'General case' 0 C--N 1.359 1.0 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 170.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.04 -43.29 95.97 Favored 'General case' 0 C--N 1.355 0.844 0 O-C-N 120.163 -1.586 . . . . 0.0 112.913 171.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.7 tp -68.27 -46.46 70.35 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.9 ttmm -120.5 118.62 30.71 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 124.817 1.247 . . . . 0.0 108.532 -175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.67 76.36 2.25 Favored Glycine 0 C--N 1.352 1.437 0 O-C-N 120.303 -1.498 . . . . 0.0 113.151 -177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 38.3 mtp85 -71.04 124.1 23.61 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 118.242 1.021 . . . . 0.0 111.87 178.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.7 t -152.58 140.1 19.7 Favored 'General case' 0 CA--C 1.511 -0.546 0 N-CA-C 105.312 -2.107 . . . . 0.0 105.312 168.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 65.34 -71.16 0.08 Allowed 'General case' 0 C--N 1.358 0.974 0 C-N-CA 126.081 1.752 . . . . 0.0 113.778 -177.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 52.9 ttm-85 -132.9 -91.14 0.39 Allowed 'General case' 0 N--CA 1.444 -0.762 0 N-CA-C 104.974 -2.232 . . . . 0.0 104.974 175.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.3 mtmm -135.53 -50.38 0.73 Allowed 'General case' 0 C--N 1.361 1.074 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 158.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.5 mt 51.6 47.29 25.09 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 117.592 2.442 . . . . 0.0 117.592 175.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 . . . . . 0 C--O 1.26 1.618 0 O-C-N 120.455 -1.403 . . . . 0.0 113.579 177.124 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -79.29 156.46 28.05 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 120.633 -1.292 . . . . 0.0 112.474 175.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 99.2 mmm -87.17 137.09 32.64 Favored 'General case' 0 N--CA 1.446 -0.642 0 O-C-N 121.331 -0.855 . . . . 0.0 109.622 173.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -124.16 145.44 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.606 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 172.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -64.63 -41.57 96.07 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 125.051 1.341 . . . . 0.0 112.324 -178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.1 p -138.94 148.09 56.52 Favored Pre-proline 0 N--CA 1.447 -0.621 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 171.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.76 -15.05 19.33 Favored 'Trans proline' 0 CA--C 1.514 -0.514 0 C-N-CA 122.626 2.217 . . . . 0.0 111.848 173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -91.96 -45.84 8.13 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-N 119.412 1.005 . . . . 0.0 113.003 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -97.82 -48.63 5.12 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 120.613 -1.304 . . . . 0.0 111.621 -174.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -69.24 -43.4 74.08 Favored 'General case' 0 C--N 1.356 0.863 0 O-C-N 121.23 -0.918 . . . . 0.0 112.503 -174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -62.04 -44.24 97.12 Favored 'General case' 0 C--N 1.355 0.839 0 O-C-N 121.226 -0.921 . . . . 0.0 111.697 177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -62.18 -44.55 96.35 Favored 'General case' 0 C--N 1.36 1.05 0 C-N-CA 125.223 1.409 . . . . 0.0 111.199 174.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.7 tp -60.8 -46.36 90.81 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 121.057 -1.027 . . . . 0.0 113.527 176.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.4 t -64.12 -46.7 92.9 Favored 'Isoleucine or valine' 0 C--N 1.357 0.933 0 CA-C-N 118.688 0.676 . . . . 0.0 112.485 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -68.66 -38.37 80.38 Favored 'General case' 0 C--N 1.36 1.024 0 O-C-N 120.383 -1.448 . . . . 0.0 113.532 177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -63.28 -47.36 82.67 Favored 'General case' 0 C--N 1.36 1.025 0 O-C-N 120.993 -1.067 . . . . 0.0 112.613 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -67.97 -37.08 77.75 Favored 'Isoleucine or valine' 0 C--N 1.36 1.056 0 O-C-N 121.248 -0.908 . . . . 0.0 112.506 178.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -65.44 -44.07 88.47 Favored 'General case' 0 C--N 1.357 0.898 0 O-C-N 120.495 -1.378 . . . . 0.0 113.816 174.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.8 mt -66.27 -46.46 87.16 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 O-C-N 120.833 -1.167 . . . . 0.0 113.019 175.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -130.33 91.68 37.81 Favored Pre-proline 0 C--N 1.356 0.878 0 O-C-N 120.711 -1.243 . . . . 0.0 111.687 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -73.17 -12.06 25.39 Favored 'Trans proline' 0 CA--C 1.515 -0.45 0 C-N-CA 122.77 2.313 . . . . 0.0 113.464 -177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -82.58 64.38 7.2 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-N 119.857 1.208 . . . . 0.0 111.001 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 75.3 p -131.15 161.75 31.45 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 125.883 1.673 . . . . 0.0 107.332 174.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 60.0 p -117.17 167.28 11.33 Favored 'General case' 0 C--N 1.349 0.559 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . . . -59.85 -28.6 67.65 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 124.269 1.028 . . . . 0.0 113.319 -179.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.6 mmtt -60.01 -38.45 82.71 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.609 1.563 . . . . 0.0 112.955 175.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -63.08 -43.87 97.32 Favored 'General case' 0 C--N 1.358 0.942 0 CA-C-O 122.088 0.947 . . . . 0.0 110.934 176.57 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.5 mp -65.54 -39.9 92.26 Favored 'General case' 0 C--N 1.35 0.602 0 C-N-CA 126.464 1.906 . . . . 0.0 112.507 175.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' ALA . 58.5 t -60.11 -44.92 96.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 C-N-CA 124.493 1.117 . . . . 0.0 111.048 175.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -62.81 -41.68 99.39 Favored 'General case' 0 C--N 1.359 0.979 0 O-C-N 121.059 -1.026 . . . . 0.0 113.074 173.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -60.56 -45.49 93.69 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.986 0.914 . . . . 0.0 113.317 175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.95 -44.47 89.33 Favored 'General case' 0 C--N 1.353 0.735 0 O-C-N 121.18 -0.95 . . . . 0.0 113.15 176.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.29 -42.69 92.85 Favored 'General case' 0 C--N 1.358 0.939 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -63.28 -43.52 97.66 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 124.698 1.199 . . . . 0.0 112.653 175.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.4 m -64.21 -43.7 94.19 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 124.462 1.105 . . . . 0.0 111.194 175.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.52 47.18 1.85 Allowed Glycine 0 C--N 1.354 1.581 0 C-N-CA 123.578 0.609 . . . . 0.0 111.979 177.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.9 t -137.49 155.15 49.62 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -108.76 119.68 40.25 Favored 'General case' 0 C--N 1.351 0.668 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 174.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 84.3 t -128.37 133.87 65.94 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 174.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 62.1 m -64.42 126.97 29.51 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 121.194 -0.941 . . . . 0.0 113.377 -173.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 47.4 mm -64.12 -42.94 97.16 Favored 'Isoleucine or valine' 0 C--N 1.355 0.83 0 C-N-CA 125.333 1.453 . . . . 0.0 112.743 -170.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 63.7 m -60.58 -42.19 96.21 Favored 'General case' 0 C--N 1.355 0.824 0 O-C-N 121.021 -1.05 . . . . 0.0 112.568 -179.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 85.2 m -62.58 -44.55 96.04 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.965 1.306 . . . . 0.0 111.128 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.9 t -62.27 -46.89 95.4 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 C-N-CA 124.857 1.263 . . . . 0.0 111.699 175.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -64.78 -43.75 92.25 Favored 'General case' 0 C--N 1.349 0.579 0 O-C-N 120.925 -1.109 . . . . 0.0 113.337 179.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -62.2 -46.19 90.03 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 174.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -67.01 -38.87 82.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.057 0 CA-C-N 119.674 1.124 . . . . 0.0 112.358 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 tt -63.91 -47.59 79.96 Favored 'General case' 0 C--N 1.361 1.084 0 C-N-CA 124.141 0.976 . . . . 0.0 112.205 -179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -71.93 -47.66 50.91 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -65.2 -45.31 85.3 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-N 119.825 1.193 . . . . 0.0 113.992 -164.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -65.53 -39.86 92.26 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -66.32 -43.35 86.43 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 120.976 -1.078 . . . . 0.0 113.218 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -75.46 -44.26 45.15 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 123.409 0.683 . . . . 0.0 111.961 -174.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -125.85 131.85 52.31 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 108.022 -1.103 . . . . 0.0 108.022 177.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.37 94.64 1.51 Allowed Glycine 0 C--N 1.351 1.395 0 O-C-N 119.814 -1.803 . . . . 0.0 112.032 179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -80.76 72.75 7.74 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.653 1.181 . . . . 0.0 110.13 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.0 t 64.08 -163.69 0.26 Allowed 'General case' 0 C--N 1.353 0.741 0 C-N-CA 126.73 2.012 . . . . 0.0 111.773 -169.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -134.72 -67.41 0.56 Allowed 'General case' 0 C--N 1.348 0.535 0 O-C-N 120.862 -1.149 . . . . 0.0 112.175 -175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 58.13 -119.29 1.11 Allowed 'General case' 0 C--N 1.357 0.904 0 C-N-CA 125.9 1.68 . . . . 0.0 112.333 -171.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -104.54 137.38 42.48 Favored 'General case' 0 C--N 1.353 0.729 0 O-C-N 120.595 -1.316 . . . . 0.0 110.167 -173.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.4 mm? 67.95 -48.78 0.53 Allowed 'General case' 0 C--N 1.357 0.934 0 C-N-CA 128.268 2.627 . . . . 0.0 115.191 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 . . . . . 0 C--O 1.261 1.665 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -172.026 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 2.233 0 N-CA-C 115.503 1.668 . . . . 0.0 115.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.6 m -65.17 142.02 58.48 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 125.869 1.667 . . . . 0.0 113.155 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.7 mtp -82.43 147.06 28.97 Favored 'General case' 0 C--N 1.349 0.552 0 C-N-CA 123.829 0.852 . . . . 0.0 112.72 -175.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.1 p -99.73 -21.15 5.23 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 O-C-N 121.413 -0.804 . . . . 0.0 111.31 174.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.53 -38.83 92.37 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 125.837 1.655 . . . . 0.0 113.864 176.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.406 ' HB2' ' HD2' ' A' ' 7' ' ' PRO . 96.7 p -75.73 165.65 51.62 Favored Pre-proline 0 C--N 1.35 0.605 0 C-N-CA 126.65 1.98 . . . . 0.0 112.702 -175.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 6' ' ' SER . 71.9 Cg_endo -73.3 2.11 6.0 Favored 'Trans proline' 0 C--N 1.351 0.664 0 C-N-CA 123.565 2.844 . . . . 0.0 112.491 -177.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -81.08 5.89 15.29 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 127.564 2.346 . . . . 0.0 111.125 171.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -59.81 -36.36 76.6 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.102 1.761 . . . . 0.0 113.921 -171.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.75 -43.17 99.36 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 123.638 0.775 . . . . 0.0 112.104 174.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -62.14 -43.89 97.84 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 124.615 1.166 . . . . 0.0 111.777 175.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 89.3 m -61.61 -45.31 94.65 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 124.37 1.068 . . . . 0.0 111.982 176.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 tt -63.9 -44.99 91.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 121.214 -0.929 . . . . 0.0 112.44 176.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.7 t -62.1 -41.94 93.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 C-N-CA 124.697 1.199 . . . . 0.0 111.886 175.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 28.0 tpt180 -59.13 -44.03 92.01 Favored 'General case' 0 C--N 1.355 0.812 0 O-C-N 120.643 -1.286 . . . . 0.0 112.561 176.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -62.12 -43.3 99.14 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 120.776 -1.202 . . . . 0.0 112.768 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.0 t -63.64 -43.76 98.27 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 C-N-CA 125.19 1.396 . . . . 0.0 112.374 175.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -64.26 -43.64 94.23 Favored 'General case' 0 C--N 1.356 0.864 0 O-C-N 120.306 -1.496 . . . . 0.0 114.067 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.8 mm -65.18 -45.62 93.35 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 O-C-N 121.124 -0.985 . . . . 0.0 113.043 177.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -118.23 98.4 51.38 Favored Pre-proline 0 C--N 1.357 0.911 0 O-C-N 120.904 -1.122 . . . . 0.0 109.869 174.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -71.69 -11.44 27.92 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 123.271 2.647 . . . . 0.0 113.471 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -84.75 -2.23 57.35 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 119.345 0.975 . . . . 0.0 112.163 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -70.8 151.4 44.86 Favored 'General case' 0 C--N 1.354 0.788 0 CA-C-O 122.559 1.171 . . . . 0.0 113.165 -173.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 p -125.98 168.37 14.02 Favored 'General case' 0 C--N 1.352 0.685 0 C-N-CA 124.982 1.313 . . . . 0.0 108.593 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.43 -34.33 68.83 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 125.258 1.423 . . . . 0.0 113.599 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' HA ' HG12 ' A' ' 29' ' ' VAL . 52.2 mttp -60.66 -39.4 88.21 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 126.411 1.884 . . . . 0.0 114.279 172.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -66.24 -43.57 86.19 Favored 'General case' 0 C--N 1.352 0.682 0 O-C-N 121.067 -1.02 . . . . 0.0 111.531 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 mp -64.92 -45.14 87.12 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 177.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 HG12 ' HA ' ' A' ' 26' ' ' LYS . 9.6 p -63.86 -40.33 88.68 Favored 'Isoleucine or valine' 0 C--N 1.36 1.049 0 CA-C-N 119.197 0.908 . . . . 0.0 113.24 -173.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -63.11 -45.08 93.71 Favored 'General case' 0 C--N 1.359 1.019 0 O-C-N 121.042 -1.036 . . . . 0.0 112.292 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 16.0 tmm? -62.49 -47.09 85.52 Favored 'General case' 0 C--N 1.356 0.854 0 C-N-CA 124.689 1.196 . . . . 0.0 112.591 174.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 26.0 tp -66.41 -45.73 78.97 Favored 'General case' 0 C--N 1.352 0.698 0 C-N-CA 124.948 1.299 . . . . 0.0 111.695 -176.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -65.9 -43.84 87.0 Favored 'General case' 0 C--N 1.36 1.035 0 C-N-CA 125.681 1.592 . . . . 0.0 113.25 176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -63.42 -41.36 98.71 Favored 'General case' 0 C--N 1.36 1.048 0 C-N-CA 124.133 0.973 . . . . 0.0 111.763 177.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m -62.48 -43.03 99.8 Favored 'General case' 0 C--N 1.356 0.863 0 C-N-CA 124.321 1.048 . . . . 0.0 111.145 173.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 117.83 34.56 1.15 Allowed Glycine 0 C--N 1.354 1.571 0 O-C-N 121.743 -0.598 . . . . 0.0 113.724 169.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.9 m -117.41 130.74 56.68 Favored 'General case' 0 C--N 1.349 0.565 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -178.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -97.98 115.33 27.95 Favored 'General case' 0 C--N 1.355 0.829 0 O-C-N 120.718 -1.239 . . . . 0.0 109.538 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 59.6 t -132.48 133.99 59.33 Favored 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 104.733 -2.321 . . . . 0.0 104.733 169.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 m -66.29 140.87 58.15 Favored 'General case' 0 C--N 1.355 0.806 0 O-C-N 120.785 -1.197 . . . . 0.0 112.723 175.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.7 mm -63.94 -38.34 82.12 Favored 'Isoleucine or valine' 0 C--N 1.353 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 112.355 -175.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 m -58.29 -42.72 87.21 Favored 'General case' 0 C--N 1.355 0.804 0 C-N-CA 125.641 1.577 . . . . 0.0 113.432 -173.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.4 t -72.71 -35.05 67.5 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 120.768 -1.207 . . . . 0.0 112.56 174.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 69.5 t -63.02 -45.49 98.71 Favored 'Isoleucine or valine' 0 C--N 1.358 0.945 0 O-C-N 120.705 -1.247 . . . . 0.0 111.742 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -62.23 -37.45 85.43 Favored 'General case' 0 C--N 1.36 1.037 0 O-C-N 120.678 -1.264 . . . . 0.0 113.067 177.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 93.6 mtt-85 -64.82 -40.33 95.02 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.391 1.476 . . . . 0.0 112.535 175.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.31 -46.35 96.78 Favored 'Isoleucine or valine' 0 C--N 1.359 1.005 0 CA-C-N 118.921 0.782 . . . . 0.0 112.035 173.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.7 mp -64.37 -43.28 95.02 Favored 'General case' 0 C--N 1.358 0.946 0 O-C-N 120.778 -1.201 . . . . 0.0 113.227 174.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -62.09 -46.48 88.88 Favored 'General case' 0 C--N 1.354 0.799 0 O-C-N 121.217 -0.927 . . . . 0.0 112.334 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.45 -45.28 93.81 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 124.227 1.011 . . . . 0.0 112.935 176.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -68.23 -33.85 75.17 Favored 'General case' 0 C--N 1.356 0.872 0 O-C-N 121.389 -0.819 . . . . 0.0 112.592 177.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -63.9 -45.25 90.17 Favored 'General case' 0 C--N 1.353 0.76 0 O-C-N 119.497 -2.002 . . . . 0.0 112.283 170.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.41 -46.52 76.27 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 124.06 0.944 . . . . 0.0 113.27 176.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -116.02 119.66 36.59 Favored 'General case' 0 C--N 1.353 0.726 0 O-C-N 120.976 -1.077 . . . . 0.0 108.469 -178.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.2 75.25 2.09 Favored Glycine 0 C--N 1.354 1.568 0 O-C-N 120.709 -1.244 . . . . 0.0 113.197 -175.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 50.5 ttt-85 55.36 -127.68 2.16 Favored 'General case' 0 C--N 1.353 0.758 0 C-N-CA 127.653 2.381 . . . . 0.0 110.163 -172.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 34.8 t -158.26 147.79 19.59 Favored 'General case' 0 N--CA 1.44 -0.953 0 N-CA-C 102.755 -3.054 . . . . 0.0 102.755 159.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 52.54 56.61 7.41 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 116.418 2.007 . . . . 0.0 116.418 173.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 19.3 mmt180 -63.71 138.44 58.49 Favored 'General case' 0 C--N 1.354 0.763 0 N-CA-C 116.101 1.889 . . . . 0.0 116.101 -178.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.15 132.55 56.33 Favored 'General case' 0 N--CA 1.441 -0.889 0 N-CA-C 103.304 -2.85 . . . . 0.0 103.304 156.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 39.1 tp -66.59 -44.04 83.28 Favored 'General case' 0 C--N 1.352 0.693 0 CA-C-O 121.902 0.858 . . . . 0.0 112.386 -174.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 . . . . . 0 C--O 1.261 1.662 0 O-C-N 120.989 -1.07 . . . . 0.0 113.745 178.696 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 115.867 1.803 . . . . 0.0 115.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.7 t -61.0 -43.5 98.8 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 125.189 1.396 . . . . 0.0 112.77 -172.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 28.6 ptm -66.9 -22.96 65.95 Favored 'General case' 0 C--N 1.351 0.65 0 N-CA-C 115.495 1.665 . . . . 0.0 115.495 178.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 83.7 t -66.74 -47.43 83.0 Favored 'Isoleucine or valine' 0 C--N 1.358 0.977 0 C-N-CA 124.542 1.137 . . . . 0.0 113.411 -166.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.8 mt 53.2 -120.07 1.62 Allowed 'General case' 0 C--N 1.36 1.058 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 170.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 m -97.11 107.88 40.59 Favored Pre-proline 0 C--N 1.355 0.807 0 O-C-N 120.929 -1.107 . . . . 0.0 108.191 171.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -71.76 -20.47 26.25 Favored 'Trans proline' 0 CA--C 1.514 -0.525 0 C-N-CA 122.469 2.113 . . . . 0.0 113.588 -165.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 -62.58 -40.01 95.51 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 125.636 1.574 . . . . 0.0 114.213 -176.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -93.76 -38.43 11.28 Favored 'General case' 0 C--N 1.353 0.722 0 O-C-N 121.196 -0.94 . . . . 0.0 111.448 170.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 tp10 -64.36 -44.43 91.44 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 -171.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 55.9 ttm-85 -62.39 -44.52 96.26 Favored 'General case' 0 C--N 1.362 1.114 0 O-C-N 120.81 -1.181 . . . . 0.0 112.262 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 86.0 m -62.64 -45.59 92.15 Favored 'General case' 0 C--N 1.352 0.707 0 C-N-CA 125.287 1.435 . . . . 0.0 111.012 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -63.67 -45.9 88.02 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 121.347 -0.846 . . . . 0.0 112.506 176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.89 -45.07 99.78 Favored 'Isoleucine or valine' 0 C--N 1.36 1.052 0 C-N-CA 123.779 0.831 . . . . 0.0 112.045 177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -61.92 -44.18 97.31 Favored 'General case' 0 C--N 1.358 0.963 0 O-C-N 121.003 -1.061 . . . . 0.0 112.637 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -61.82 -45.15 95.09 Favored 'General case' 0 C--N 1.357 0.898 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -74.72 -30.35 24.56 Favored 'Isoleucine or valine' 0 C--N 1.358 0.938 0 O-C-N 121.216 -0.928 . . . . 0.0 111.993 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -65.93 -45.92 80.1 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 120.525 -1.36 . . . . 0.0 113.829 171.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.5 mt -67.1 -46.19 85.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.078 0 O-C-N 121.078 -1.014 . . . . 0.0 112.438 176.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -125.6 95.34 40.7 Favored Pre-proline 0 C--N 1.354 0.769 0 O-C-N 120.994 -1.066 . . . . 0.0 108.676 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -71.49 -11.92 28.84 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 C-N-CA 123.071 2.514 . . . . 0.0 112.822 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.6 mmm180 -93.0 2.05 57.0 Favored 'General case' 0 C--N 1.35 0.599 0 C-N-CA 124.631 1.172 . . . . 0.0 111.687 -178.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.8 t -66.07 140.68 58.27 Favored 'General case' 0 C--N 1.358 0.958 0 CA-C-O 122.767 1.27 . . . . 0.0 112.764 -179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.2 p -86.25 163.84 17.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.012 0.925 . . . . 0.0 110.8 177.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.15 -29.76 70.57 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.786 1.234 . . . . 0.0 113.708 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -61.25 -39.66 91.16 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 125.05 1.34 . . . . 0.0 113.466 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -62.8 -42.24 99.63 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 121.086 -1.009 . . . . 0.0 110.958 175.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mp -63.61 -42.67 98.18 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 124.582 1.153 . . . . 0.0 112.02 174.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.84 -43.82 97.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 O-C-N 120.99 -1.069 . . . . 0.0 112.497 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 62.3 mttm -61.83 -45.15 95.04 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 120.461 -1.399 . . . . 0.0 114.238 177.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.4 ptt? -69.4 -31.91 70.58 Favored 'General case' 0 C--N 1.357 0.912 0 O-C-N 120.65 -1.281 . . . . 0.0 113.044 174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.1 tp -63.24 -44.68 94.52 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 125.187 1.395 . . . . 0.0 111.22 176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -62.72 -42.01 99.44 Favored 'General case' 0 C--N 1.358 0.957 0 C-N-CA 124.619 1.168 . . . . 0.0 112.779 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -62.77 -42.83 99.87 Favored 'General case' 0 C--N 1.355 0.812 0 C-N-CA 123.815 0.846 . . . . 0.0 113.065 172.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -63.4 -44.26 95.21 Favored 'General case' 0 C--N 1.356 0.858 0 C-N-CA 125.525 1.53 . . . . 0.0 112.253 176.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.27 16.62 46.15 Favored Glycine 0 C--N 1.357 1.695 0 O-C-N 121.204 -0.935 . . . . 0.0 114.563 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.8 m -100.56 128.24 46.68 Favored 'General case' 0 C--N 1.347 0.482 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 -179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.9 mmpt? -84.66 123.52 30.45 Favored 'General case' 0 C--N 1.354 0.789 0 O-C-N 120.814 -1.179 . . . . 0.0 112.41 175.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.2 m -134.94 162.39 38.64 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 N-CA-C 105.538 -2.023 . . . . 0.0 105.538 170.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -77.18 141.72 39.97 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 121.118 -0.989 . . . . 0.0 112.528 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.4 mm -64.05 -43.37 97.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.885 0 C-N-CA 124.784 1.234 . . . . 0.0 111.636 178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.8 t -60.81 -41.98 96.76 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 124.985 1.314 . . . . 0.0 112.265 -176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.2 p -67.17 -36.06 80.99 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 120.686 -1.259 . . . . 0.0 113.595 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.86 -44.83 99.84 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 O-C-N 120.931 -1.105 . . . . 0.0 111.206 172.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -63.04 -42.06 99.65 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 121.11 -0.994 . . . . 0.0 112.746 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -61.06 -42.29 98.21 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.536 1.134 . . . . 0.0 113.103 176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -61.5 -44.54 98.75 Favored 'Isoleucine or valine' 0 C--N 1.358 0.972 0 O-C-N 121.01 -1.056 . . . . 0.0 111.877 174.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.0 mt -62.21 -45.19 94.47 Favored 'General case' 0 C--N 1.359 1.009 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 171.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.7 -45.64 93.11 Favored 'General case' 0 C--N 1.354 0.771 0 N-CA-C 115.311 1.597 . . . . 0.0 115.311 171.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -63.38 -46.62 85.66 Favored 'General case' 0 C--N 1.351 0.636 0 CA-C-N 120.567 1.53 . . . . 0.0 112.029 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -65.48 -45.69 82.69 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -66.8 -43.51 83.69 Favored 'General case' 0 C--N 1.357 0.894 0 O-C-N 120.661 -1.275 . . . . 0.0 112.884 177.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 21.0 tp -70.37 -44.24 68.47 Favored 'General case' 0 C--N 1.356 0.881 0 O-C-N 121.659 -0.651 . . . . 0.0 111.845 -173.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -133.03 123.73 26.36 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-O 122.304 1.049 . . . . 0.0 110.899 -176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.06 91.91 1.73 Allowed Glycine 0 C--N 1.351 1.398 0 O-C-N 120.51 -1.369 . . . . 0.0 111.019 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -79.23 57.16 2.22 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 124.733 1.213 . . . . 0.0 111.31 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 36.7 t -67.4 -46.61 72.73 Favored 'General case' 0 C--N 1.353 0.724 0 C-N-CA 125.275 1.43 . . . . 0.0 113.191 -173.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.62 -37.32 56.59 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 113.536 0.939 . . . . 0.0 113.536 178.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 70.39 119.52 0.04 OUTLIER 'General case' 0 C--N 1.357 0.919 0 C-N-CA 128.701 2.8 . . . . 0.0 111.427 -162.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -103.45 -45.62 4.8 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 120.841 -1.162 . . . . 0.0 110.924 -178.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -147.49 158.55 44.03 Favored 'General case' 0 N--CA 1.437 -1.086 0 N-CA-C 105.783 -1.932 . . . . 0.0 105.783 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 C--O 1.259 1.559 0 CA-C-O 118.403 -0.808 . . . . 0.0 112.414 -172.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.005 0 N-CA-C 113.617 0.969 . . . . 0.0 113.617 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.0 m -131.23 159.38 37.94 Favored 'General case' 0 CA--C 1.507 -0.685 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 172.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.1 ttt -60.96 -37.03 80.98 Favored 'General case' 0 C--N 1.349 0.579 0 C-N-CA 126.46 1.904 . . . . 0.0 113.121 -174.225 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.67 18.69 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.395 0 C-N-CA 127.175 2.19 . . . . 0.0 114.37 -168.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.17 -45.14 94.1 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 125.814 1.646 . . . . 0.0 113.478 -163.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.1 m -120.09 90.09 43.86 Favored Pre-proline 0 C--N 1.354 0.778 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.484 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -68.05 -22.03 42.11 Favored 'Trans proline' 0 CA--C 1.516 -0.396 0 C-N-CA 123.127 2.551 . . . . 0.0 114.21 -169.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.19 -44.14 97.77 Favored 'General case' 0 C--N 1.354 0.767 0 CA-C-N 119.631 1.105 . . . . 0.0 112.251 173.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 50.2 m-20 -84.65 -46.14 11.8 Favored 'General case' 0 N--CA 1.442 -0.837 0 O-C-N 121.676 -0.64 . . . . 0.0 110.579 176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -65.24 -44.49 88.02 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 114.492 1.293 . . . . 0.0 114.492 -170.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.6 mtm105 -68.23 -39.12 82.4 Favored 'General case' 0 C--N 1.357 0.909 0 O-C-N 120.991 -1.068 . . . . 0.0 111.98 178.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 85.8 m -61.36 -43.83 98.2 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 125.233 1.413 . . . . 0.0 110.507 173.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.404 HD21 HD23 ' A' ' 28' ' ' LEU . 3.2 tm? -62.22 -48.54 79.54 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 125.456 1.502 . . . . 0.0 111.541 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.8 m -68.74 -39.29 80.01 Favored 'Isoleucine or valine' 0 C--N 1.361 1.071 0 O-C-N 120.865 -1.147 . . . . 0.0 112.099 177.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -61.81 -47.4 85.26 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.984 1.266 . . . . 0.0 113.352 174.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -63.78 -44.8 92.28 Favored 'General case' 0 C--N 1.356 0.862 0 O-C-N 120.998 -1.064 . . . . 0.0 113.349 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.29 -43.6 98.74 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 O-C-N 121.036 -1.04 . . . . 0.0 112.556 175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -64.32 -45.32 88.4 Favored 'General case' 0 C--N 1.358 0.973 0 O-C-N 120.917 -1.114 . . . . 0.0 112.345 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.5 mm -79.81 -43.55 22.9 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 C-N-CA 124.62 1.168 . . . . 0.0 112.614 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -117.11 84.14 16.32 Favored Pre-proline 0 C--N 1.354 0.78 0 O-C-N 120.4 -1.438 . . . . 0.0 109.348 -176.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -75.25 -5.45 16.69 Favored 'Trans proline' 0 CA--C 1.519 -0.266 0 C-N-CA 123.423 2.749 . . . . 0.0 113.372 -171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -85.86 0.83 52.01 Favored 'General case' 0 C--N 1.348 0.521 0 C-N-CA 125.596 1.558 . . . . 0.0 113.487 -174.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 78.4 p -76.05 160.03 30.21 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.524 -1.36 . . . . 0.0 113.512 -175.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.7 m -124.7 144.67 50.09 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 -177.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.54 -17.74 34.76 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.483 1.913 . . . . 0.0 115.435 -169.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -59.42 -40.65 87.37 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 124.986 1.314 . . . . 0.0 113.335 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -64.51 -42.08 96.02 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 121.052 -1.03 . . . . 0.0 111.229 174.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD23 HD21 ' A' ' 13' ' ' LEU . 6.2 mp -64.03 -46.3 85.08 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 124.678 1.191 . . . . 0.0 113.128 178.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -67.1 -34.96 73.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.927 0 O-C-N 120.372 -1.455 . . . . 0.0 112.347 177.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -61.95 -43.95 97.77 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 124.873 1.269 . . . . 0.0 112.229 174.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.5 ttp -61.69 -45.27 94.73 Favored 'General case' 0 C--N 1.358 0.966 0 C-N-CA 124.378 1.071 . . . . 0.0 113.479 171.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -43.46 98.69 Favored 'General case' 0 C--N 1.353 0.74 0 C-N-CA 124.505 1.122 . . . . 0.0 112.701 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -63.31 -41.21 98.91 Favored 'General case' 0 C--N 1.355 0.811 0 O-C-N 120.681 -1.262 . . . . 0.0 113.499 171.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -62.15 -43.9 97.8 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 113.985 1.106 . . . . 0.0 113.985 176.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 t -75.74 -28.99 58.73 Favored 'General case' 0 C--N 1.359 1.015 0 O-C-N 120.908 -1.12 . . . . 0.0 111.998 174.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.51 15.53 37.34 Favored Glycine 0 C--N 1.356 1.693 0 O-C-N 120.756 -1.215 . . . . 0.0 114.546 170.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -118.63 128.12 54.23 Favored 'General case' 0 CA--C 1.51 -0.564 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -82.88 135.5 34.9 Favored 'General case' 0 C--N 1.354 0.764 0 O-C-N 121.118 -0.989 . . . . 0.0 112.935 -177.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -123.99 130.37 73.88 Favored 'Isoleucine or valine' 0 C--N 1.35 0.616 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 167.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.7 m -67.29 144.7 55.75 Favored 'General case' 0 C--N 1.352 0.707 0 CA-C-O 122.115 0.96 . . . . 0.0 112.934 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.2 mm -64.5 -39.79 86.82 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 C-N-CA 124.437 1.095 . . . . 0.0 112.155 -171.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.4 p -60.58 -36.76 79.3 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 115.438 1.644 . . . . 0.0 115.438 -176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -67.05 -37.91 84.89 Favored 'General case' 0 C--N 1.357 0.911 0 O-C-N 120.725 -1.234 . . . . 0.0 112.341 173.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.04 -43.88 99.29 Favored 'Isoleucine or valine' 0 C--N 1.355 0.828 0 C-N-CA 124.818 1.247 . . . . 0.0 111.069 173.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -61.29 -42.51 98.77 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.221 1.008 . . . . 0.0 111.873 176.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.5 mtp85 -62.06 -41.92 98.65 Favored 'General case' 0 C--N 1.357 0.896 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 171.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.4 t -61.29 -44.79 99.08 Favored 'Isoleucine or valine' 0 C--N 1.358 0.951 0 CA-C-N 119.061 0.846 . . . . 0.0 111.158 176.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -63.06 -43.66 98.01 Favored 'General case' 0 C--N 1.354 0.768 0 O-C-N 121.126 -0.984 . . . . 0.0 113.489 172.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -61.73 -47.38 85.52 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 121.149 -0.969 . . . . 0.0 111.788 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -66.88 -40.05 87.7 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 120.653 -1.279 . . . . 0.0 110.912 -178.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -62.74 -40.64 97.87 Favored 'General case' 0 C--N 1.351 0.633 0 CA-C-N 122.304 2.32 . . . . 0.0 114.095 172.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -62.68 -41.03 98.89 Favored 'General case' 0 C--N 1.353 0.757 0 O-C-N 120.294 -1.504 . . . . 0.0 114.345 171.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 mp -63.98 -45.62 88.24 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 116.556 2.058 . . . . 0.0 116.556 172.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -115.79 -10.62 11.71 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 115.573 1.694 . . . . 0.0 115.573 -169.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.86 131.2 50.42 Favored Glycine 0 C--N 1.357 1.698 0 N-CA-C 116.896 1.519 . . . . 0.0 116.896 -155.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 44.88 55.02 6.37 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 128.6 2.76 . . . . 0.0 115.573 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 89.4 p -67.52 -9.06 38.96 Favored 'General case' 0 C--N 1.351 0.652 0 C-N-CA 126.434 1.894 . . . . 0.0 115.5 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.87 74.65 2.14 Favored 'General case' 0 N--CA 1.443 -0.795 0 C-N-CA 126.375 1.87 . . . . 0.0 112.627 -175.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 67.9 mtp85 74.54 158.62 0.21 Allowed 'General case' 0 C--N 1.356 0.872 0 C-N-CA 128.25 2.62 . . . . 0.0 114.698 178.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -81.07 68.58 7.41 Favored 'General case' 0 C--N 1.354 0.762 0 O-C-N 120.414 -1.429 . . . . 0.0 111.671 -179.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 89.3 mt -85.28 68.68 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 122.447 1.117 . . . . 0.0 109.626 178.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 . . . . . 0 C--O 1.259 1.573 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 -178.889 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.019 0 N-CA-C 115.799 1.777 . . . . 0.0 115.799 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.7 m -124.33 147.55 48.09 Favored 'General case' 0 C--N 1.355 0.807 0 N-CA-C 108.582 -0.895 . . . . 0.0 108.582 179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.9 ptp -66.2 -36.63 83.57 Favored 'General case' 0 C--N 1.35 0.622 0 N-CA-C 117.296 2.332 . . . . 0.0 117.296 -172.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.1 t 48.9 47.98 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.0 0 C-N-CA 127.745 2.418 . . . . 0.0 113.928 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 52.1 tp -105.08 -44.51 4.77 Favored 'General case' 0 C--N 1.353 0.748 0 O-C-N 120.521 -1.362 . . . . 0.0 112.014 -175.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.5 t -134.53 134.99 22.86 Favored Pre-proline 0 C--N 1.353 0.749 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -68.38 -29.25 31.85 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.656 2.237 . . . . 0.0 113.435 -175.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -65.57 -47.75 74.72 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 124.123 0.969 . . . . 0.0 112.704 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.8 -39.81 34.69 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 121.145 -0.972 . . . . 0.0 113.242 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -64.87 -43.59 92.45 Favored 'General case' 0 C--N 1.362 1.119 0 CA-C-N 120.525 1.511 . . . . 0.0 113.285 -174.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.9 mmt85 -66.82 -43.78 82.91 Favored 'General case' 0 C--N 1.359 1.013 0 O-C-N 121.308 -0.87 . . . . 0.0 111.912 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 60.1 m -66.99 -46.15 75.43 Favored 'General case' 0 C--N 1.354 0.779 0 C-N-CA 124.027 0.931 . . . . 0.0 111.095 -178.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.4 tt -65.13 -46.67 80.0 Favored 'General case' 0 C--N 1.361 1.105 0 C-N-CA 123.794 0.838 . . . . 0.0 112.405 -178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.48 -33.65 63.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.079 0 O-C-N 120.766 -1.208 . . . . 0.0 112.705 -177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.3 ttm-85 -63.08 -48.43 78.63 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 121.342 -0.848 . . . . 0.0 111.971 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -65.51 -43.3 90.54 Favored 'General case' 0 C--N 1.359 1.006 0 O-C-N 121.373 -0.829 . . . . 0.0 112.494 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.8 t -62.55 -44.33 99.25 Favored 'Isoleucine or valine' 0 C--N 1.349 0.586 0 C-N-CA 123.44 0.696 . . . . 0.0 112.563 177.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -66.36 -46.25 77.38 Favored 'General case' 0 C--N 1.356 0.87 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 90.8 mt -77.83 -43.42 28.91 Favored 'Isoleucine or valine' 0 C--N 1.357 0.924 0 O-C-N 120.985 -1.072 . . . . 0.0 112.093 -176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -121.82 69.43 26.09 Favored Pre-proline 0 C--N 1.351 0.653 0 O-C-N 120.877 -1.139 . . . . 0.0 111.635 -170.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.84 -12.32 34.18 Favored 'Trans proline' 0 C--N 1.348 0.502 0 C-N-CA 124.236 3.29 . . . . 0.0 112.556 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -65.18 -23.56 67.13 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 127.34 2.256 . . . . 0.0 113.997 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.0 t -64.97 140.16 58.84 Favored 'General case' 0 C--N 1.361 1.079 0 CA-C-O 122.826 1.298 . . . . 0.0 113.988 -171.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.402 HG22 ' H ' ' A' ' 26' ' ' LYS . 90.0 m -67.91 134.86 51.53 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 124.727 1.211 . . . . 0.0 110.522 173.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -62.04 -20.29 63.79 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.03 1.732 . . . . 0.0 114.557 -174.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.402 ' H ' HG22 ' A' ' 24' ' ' THR . 58.7 tptt -58.32 -37.39 75.0 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 126.767 2.027 . . . . 0.0 112.075 175.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -61.43 -42.79 99.31 Favored 'General case' 0 C--N 1.36 1.032 0 O-C-N 121.157 -0.964 . . . . 0.0 111.481 175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.3 mp -63.93 -44.06 94.03 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 124.081 0.952 . . . . 0.0 111.131 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.0 t -62.12 -44.1 98.61 Favored 'Isoleucine or valine' 0 C--N 1.354 0.803 0 C-N-CA 124.63 1.172 . . . . 0.0 111.739 179.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.354 0.801 0 O-C-N 121.094 -1.004 . . . . 0.0 112.827 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 66.1 ttp -62.41 -43.92 97.67 Favored 'General case' 0 C--N 1.357 0.928 0 O-C-N 121.046 -1.034 . . . . 0.0 112.641 175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.11 -44.31 96.03 Favored 'General case' 0 C--N 1.352 0.708 0 C-N-CA 124.739 1.216 . . . . 0.0 112.668 174.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.68 -42.85 99.85 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 124.121 0.968 . . . . 0.0 112.706 175.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -63.53 -42.51 98.43 Favored 'General case' 0 C--N 1.356 0.864 0 C-N-CA 124.059 0.943 . . . . 0.0 112.999 173.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 85.6 m -63.07 -44.37 95.98 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 124.738 1.215 . . . . 0.0 111.323 175.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.57 -12.05 50.56 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 124.229 0.918 . . . . 0.0 112.76 176.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.4 m -64.58 128.99 38.12 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 126.057 1.743 . . . . 0.0 110.186 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -89.62 113.27 24.7 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 120.634 -1.291 . . . . 0.0 109.398 -175.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.2 t -131.44 136.75 56.87 Favored 'Isoleucine or valine' 0 C--N 1.35 0.591 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.1 p -77.06 158.99 30.19 Favored 'General case' 0 C--N 1.356 0.885 0 O-C-N 120.755 -1.216 . . . . 0.0 112.939 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -65.2 -41.48 91.73 Favored 'Isoleucine or valine' 0 C--N 1.353 0.754 0 C-N-CA 124.557 1.143 . . . . 0.0 110.224 175.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 36.4 t -62.14 -45.05 95.15 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.626 1.17 . . . . 0.0 112.296 -178.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.9 p -65.61 -38.31 89.1 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 120.455 -1.403 . . . . 0.0 114.645 177.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.9 m -67.07 -36.91 78.21 Favored 'Isoleucine or valine' 0 C--N 1.361 1.085 0 CA-C-N 120.542 1.519 . . . . 0.0 112.095 174.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -62.8 -42.48 99.73 Favored 'General case' 0 C--N 1.36 1.04 0 C-N-CA 124.037 0.935 . . . . 0.0 112.702 173.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.6 mmt-85 -62.99 -42.33 99.81 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 120.848 -1.157 . . . . 0.0 113.447 174.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.2 t -62.4 -45.18 99.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.911 0 C-N-CA 123.856 0.862 . . . . 0.0 111.878 174.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 mt -61.86 -45.03 95.54 Favored 'General case' 0 C--N 1.36 1.028 0 C-N-CA 123.832 0.853 . . . . 0.0 113.27 172.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 40.5 t80 -64.41 -44.94 89.67 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 123.822 0.849 . . . . 0.0 110.509 -178.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.8 mmt85 -60.86 -45.91 92.65 Favored 'General case' 0 C--N 1.363 1.153 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 172.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -65.91 -40.62 91.66 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 119.859 1.209 . . . . 0.0 113.477 178.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -66.94 -44.75 79.82 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 121.544 -0.722 . . . . 0.0 112.436 174.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 57.5 tp -66.42 -49.03 68.13 Favored 'General case' 0 C--N 1.359 1.005 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 176.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -132.06 117.8 18.83 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 107.591 -1.263 . . . . 0.0 107.591 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -90.83 98.6 2.47 Favored Glycine 0 C--N 1.349 1.263 0 O-C-N 119.93 -1.731 . . . . 0.0 110.976 -176.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.8 ptm85 -71.96 151.9 42.91 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 122.193 0.997 . . . . 0.0 113.541 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 38.7 t -141.7 -50.53 0.41 Allowed 'General case' 0 C--N 1.349 0.576 0 O-C-N 121.388 -0.82 . . . . 0.0 109.332 171.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.44 -94.06 0.5 Allowed 'General case' 0 C--N 1.353 0.759 0 C-N-CA 123.681 0.792 . . . . 0.0 111.329 -175.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -127.64 146.06 50.68 Favored 'General case' 0 C--N 1.35 0.622 0 C-N-CA 124.343 1.057 . . . . 0.0 108.861 -176.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.5 mttm 54.37 -123.39 2.08 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 125.277 1.431 . . . . 0.0 114.411 176.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 47.0 tp -65.19 -44.95 86.76 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 125.292 1.437 . . . . 0.0 113.21 -175.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 . . . . . 0 C--O 1.263 1.775 0 C-N-CA 124.145 0.978 . . . . 0.0 110.558 -177.668 . . . . . . . . 0 0 . 1 stop_ save_