data_1ysm_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 1ysm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.338 0.114 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.425 ' CD1' ' H ' ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.537 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.568 0.223 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 26' ' ' ARG . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 24' ' ' ARG . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.439 0.161 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.087 0.47 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp . . . . . 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.448 0.166 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.91 62.3 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.166 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm -61.12 -54.13 48.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.28 -25.3 61.54 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -34.49 -53.28 0.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.979 2.112 . . . . 0.0 114.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -84.13 -83.78 0.15 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t 43.16 28.8 0.17 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.786 2.035 . . . . 0.0 115.524 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 47.5 37.51 6.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.112 0.965 . . . . 0.0 111.568 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.58 135.62 54.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.548 0.739 . . . . 0.0 109.915 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -65.14 140.11 97.86 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.54 67.87 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.486 2.791 . . . . 0.0 110.614 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.478 0.711 . . . . 0.0 109.961 178.351 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.434 0.159 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.14 12.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.409 1.083 . . . . 0.0 111.169 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.425 ' CD1' ' H ' ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt -61.83 -53.21 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.11 64.91 0.34 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -172.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -44.2 -47.99 9.27 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.083 0.953 . . . . 0.0 110.782 169.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -72.04 68.49 0.69 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -74.72 70.53 1.87 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.914 . . . . 0.0 111.439 -169.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 58.44 23.11 10.29 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.125 1.37 . . . . 0.0 111.507 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -80.28 60.79 3.86 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 0.0 110.155 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -123.74 70.59 48.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.588 1.155 . . . . 0.0 110.014 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.18 59.7 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.42 2.746 . . . . 0.0 110.568 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.455 -0.211 0 O-C-N 121.297 -0.877 . . . . 0.0 109.651 -177.705 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.62 -47.95 28.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.701 0.801 . . . . 0.0 111.052 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt -59.42 -36.22 75.47 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.65 95.98 2.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.954 0.902 . . . . 0.0 108.917 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.2 70.38 10.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm 86.44 -130.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.706 2.802 . . . . 0.0 106.86 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 m -71.94 64.85 0.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.239 1.016 . . . . 0.0 110.886 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 63.02 -71.89 0.05 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.865 2.066 . . . . 0.0 110.938 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 60.23 -69.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.533 2.733 . . . . 0.0 112.195 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -138.37 74.85 40.41 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.83 116.21 4.17 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.581 2.188 . . . . 0.0 108.619 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.755 1.222 . . . . 0.0 111.131 -175.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.3 45.11 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.37 0.668 . . . . 0.0 110.238 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -64.06 -37.71 88.42 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.27 91.01 1.64 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -56.28 131.3 47.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -146.46 146.63 30.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.583 1.153 . . . . 0.0 108.981 -169.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -60.48 -43.88 96.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.896 0.878 . . . . 0.0 112.666 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -156.25 178.95 9.72 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.504 0.722 . . . . 0.0 109.742 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -76.25 67.68 2.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -131.31 157.58 77.72 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 126.174 1.79 . . . . 0.0 106.877 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.22 64.5 3.51 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.525 2.817 . . . . 0.0 110.997 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 123.652 0.781 . . . . 0.0 109.412 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.005 -0.045 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.87 -53.59 4.58 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.734 1.213 . . . . 0.0 111.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp -70.0 -46.55 64.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.14 -64.19 0.96 Allowed 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.644 0.656 . . . . 0.0 111.408 -173.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 59.14 -69.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.584 2.354 . . . . 0.0 111.706 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -88.83 -168.37 2.17 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -76.18 47.86 0.48 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.261 1.424 . . . . 0.0 113.121 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -77.75 66.39 3.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.075 -1.015 . . . . 0.0 109.148 171.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -64.01 -46.37 84.84 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -62.79 145.07 96.26 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.03 77.33 1.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.295 2.664 . . . . 0.0 110.169 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 124.871 1.269 . . . . 0.0 110.01 177.283 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.4 -47.79 26.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.006 0.923 . . . . 0.0 111.758 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -69.94 -72.69 0.18 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.258 1.8 pp0? -91.23 65.36 5.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.95 0.881 . . . . 0.0 110.256 -174.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -57.03 119.37 6.19 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.525 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt 58.84 24.72 12.73 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.21 1.404 . . . . 0.0 110.759 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m 66.56 -37.99 0.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.717 2.007 . . . . 0.0 114.83 -172.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -140.17 152.55 46.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.4 64.31 1.54 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.472 0.709 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -117.15 155.21 49.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 126.288 1.835 . . . . 0.0 108.623 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.25 70.47 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.458 2.772 . . . . 0.0 110.131 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 110.121 -177.514 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.536 0.419 0 CA-C-O 120.871 0.367 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.81 -55.02 3.85 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.143 1.377 . . . . 0.0 111.549 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt -63.01 -70.46 0.21 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -89.01 -27.54 20.79 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -169.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 67.76 -34.1 0.24 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.885 2.074 . . . . 0.0 116.353 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.56 -46.65 89.4 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.848 1.204 . . . . 0.0 111.638 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 m -78.51 57.04 1.89 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.496 0.719 . . . . 0.0 112.469 -169.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -69.51 -29.62 67.29 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.01 -0.431 . . . . 0.0 110.512 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 64.25 0.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.357 1.463 . . . . 0.0 109.847 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -73.92 138.29 76.32 Favored Pre-proline 0 N--CA 1.451 -0.411 0 C-N-CA 123.963 0.905 . . . . 0.0 108.796 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.55 67.36 6.39 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.321 2.681 . . . . 0.0 110.345 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.008 0.923 . . . . 0.0 111.275 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.396 0.141 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.51 -39.03 47.54 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.854 0.862 . . . . 0.0 111.527 177.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm -91.03 -70.96 0.66 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 76.82 3.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.555 1.942 . . . . 0.0 107.948 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.74 137.9 30.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.115 0.566 . . . . 0.0 109.825 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.75 72.53 0.54 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.763 0.792 . . . . 0.0 109.783 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 m 60.03 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.507 1.523 . . . . 0.0 110.887 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -179.63 153.32 0.54 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.921 2.088 . . . . 0.0 106.444 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -70.35 78.27 0.54 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.082 0.553 . . . . 0.0 109.58 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm 62.7 83.43 0.2 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.662 1.585 . . . . 0.0 110.797 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.51 75.34 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.643 2.228 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 124.493 1.117 . . . . 0.0 110.123 -177.328 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.63 13.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.364 1.066 . . . . 0.0 111.323 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt -87.27 -61.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -75.94 58.84 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.553 1.141 . . . . 0.0 111.106 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -76.71 64.65 2.34 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.753 -0.592 . . . . 0.0 110.418 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.4 -56.31 7.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -76.6 45.8 0.42 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.912 1.285 . . . . 0.0 114.066 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -81.44 -179.36 7.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -74.04 62.09 0.87 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.052 0.541 . . . . 0.0 110.012 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.47 123.65 77.45 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -48.81 129.47 20.93 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.127 2.551 . . . . 0.0 112.437 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.532 0.253 0 C-N-CA 124.688 1.195 . . . . 0.0 111.936 178.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.41 4.82 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.667 1.187 . . . . 0.0 111.276 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt -64.43 -62.32 1.67 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.7 -25.02 13.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 111.964 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 55.96 -80.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.792 1.637 . . . . 0.0 113.999 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 64.19 -57.92 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.457 2.303 . . . . 0.0 112.581 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.4 t -58.55 121.17 10.3 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.72 0.808 . . . . 0.0 109.478 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.69 68.92 0.87 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.355 0.662 . . . . 0.0 111.083 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -76.82 45.67 0.43 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.55 -0.719 . . . . 0.0 109.978 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 pttt 177.12 146.45 0.28 Allowed Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 107.633 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.32 -31.86 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.812 2.341 . . . . 0.0 110.855 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 124.547 1.139 . . . . 0.0 110.69 -179.057 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.48 -50.1 9.6 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.552 1.141 . . . . 0.0 111.366 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt -59.22 -55.09 39.4 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -121.11 84.6 2.26 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.653 0.781 . . . . 0.0 110.269 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -75.07 41.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.219 1.408 . . . . 0.0 113.829 -169.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -47.33 -42.31 21.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.169 1.388 . . . . 0.0 110.433 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -11.51 0.39 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.122 2.569 . . . . 0.0 115.005 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -145.09 -51.37 0.27 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.87 0.759 . . . . 0.0 110.388 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -75.11 81.71 2.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 170.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 112.48 1.47 Allowed Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 124.158 0.983 . . . . 0.0 109.391 169.468 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -48.1 -46.4 22.46 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.587 2.858 . . . . 0.0 114.901 -172.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.11 0.964 . . . . 0.0 111.216 -172.051 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.79 -39.47 65.47 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 171.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.72 -66.07 0.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.55 53.69 2.41 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.013 0.925 . . . . 0.0 110.585 -172.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -74.89 76.05 2.15 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -51.65 134.71 29.76 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.522 0.729 . . . . 0.0 109.448 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.8 m 58.53 46.6 14.65 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.646 0.778 . . . . 0.0 111.068 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 72.77 -45.33 0.62 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.163 2.185 . . . . 0.0 113.353 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -122.6 -68.1 0.91 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.287 1.035 . . . . 0.0 109.891 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -142.65 146.61 39.03 Favored Pre-proline 0 C--O 1.233 0.218 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.38 69.63 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.654 2.903 . . . . 0.0 109.248 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.156 0.982 . . . . 0.0 109.891 -172.657 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.12 -48.58 12.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.833 1.253 . . . . 0.0 112.025 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.413 ' C ' ' H ' ' A' ' 26' ' ' ARG . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.413 ' H ' ' C ' ' A' ' 24' ' ' ARG . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.28 -36.42 82.92 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.42 84.63 1.57 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 105.2 0.2 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -92.3 -35.36 13.8 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.729 1.211 . . . . 0.0 109.795 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -76.31 58.69 1.31 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.418 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 69.41 5.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.607 0.763 . . . . 0.0 109.64 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -67.67 79.34 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.606 0.763 . . . . 0.0 110.363 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -51.16 140.66 22.07 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.99 92.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.366 2.711 . . . . 0.0 110.561 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.578 1.151 . . . . 0.0 110.507 -177.377 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.28 -39.77 67.24 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm -90.73 -68.1 0.81 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -81.42 71.01 8.41 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.876 1.271 . . . . 0.0 107.699 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.96 146.2 18.35 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.952 177.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -81.76 55.15 2.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.758 -0.589 . . . . 0.0 109.941 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.7 t 157.08 -173.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 131.199 3.8 . . . . 0.0 105.197 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -54.95 14.64 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.51 178.71 6.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 110.319 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.85 135.34 65.91 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 123.838 0.855 . . . . 0.0 109.652 173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.92 65.53 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.218 2.612 . . . . 0.0 110.454 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 CA--C 1.531 0.239 0 O-C-N 121.568 -0.708 . . . . 0.0 109.735 -179.468 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.26 -52.15 7.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.779 1.231 . . . . 0.0 111.245 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt -52.74 -48.06 66.99 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.69 48.09 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.354 0.979 . . . . 0.0 113.449 -174.23 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.43 82.13 0.79 Allowed 'General case' 0 CA--C 1.529 0.136 0 O-C-N 120.691 -1.256 . . . . 0.0 110.265 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -64.37 77.86 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -78.83 67.17 4.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.809 1.644 . . . . 0.0 108.51 -171.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 68.91 -52.96 0.58 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.022 2.129 . . . . 0.0 111.208 -169.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -109.23 -175.48 2.77 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.121 1.369 . . . . 0.0 108.373 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.57 140.42 96.49 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.8 65.6 6.74 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.159 2.573 . . . . 0.0 110.279 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 121.689 -0.632 . . . . 0.0 109.66 179.66 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.41 69.44 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.343 0.657 . . . . 0.0 110.301 170.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm -80.2 -67.22 0.79 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.75 122.84 44.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -74.14 73.37 1.74 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.691 1.197 . . . . 0.0 111.311 -168.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 68.01 -65.14 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.165 2.186 . . . . 0.0 110.064 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 m -68.55 144.77 54.46 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.45 134.24 53.02 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.84 165.13 18.16 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.95 162.13 13.51 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.9 170.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.63 66.44 0.13 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.165 3.243 . . . . 0.0 112.913 170.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 120.944 -1.098 . . . . 0.0 109.901 -173.36 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.94 74.88 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm -73.14 -62.81 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.62 67.94 8.87 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.69 71.29 0.99 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 122.827 1.299 . . . . 0.0 110.006 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -147.93 -54.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 129.801 3.24 . . . . 0.0 103.693 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -72.25 68.91 0.76 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.679 1.192 . . . . 0.0 108.918 169.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -60.99 -15.16 28.48 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.159 0.983 . . . . 0.0 113.588 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.68 29.58 19.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.937 1.295 . . . . 0.0 110.464 -171.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -69.61 131.38 89.78 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.94 148.3 63.58 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.081 1.854 . . . . 0.0 109.987 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.329 0.652 . . . . 0.0 109.69 -179.053 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mmm . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.05 -53.21 6.51 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.925 1.29 . . . . 0.0 111.407 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp -79.29 -36.41 39.73 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -109.59 -45.35 3.7 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.207 1.403 . . . . 0.0 110.547 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.61 -71.29 0.13 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.691 1.596 . . . . 0.0 112.408 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -32.94 -55.09 0.38 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 127.942 2.497 . . . . 0.0 112.604 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -143.51 138.71 29.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -83.35 62.58 6.8 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -72.81 79.61 1.14 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.466 0.706 . . . . 0.0 110.024 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -52.35 138.63 38.38 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.755 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.1 -41.92 40.02 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.268 2.645 . . . . 0.0 112.54 173.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 123.6 0.76 . . . . 0.0 110.11 178.232 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.07 5.99 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.731 1.212 . . . . 0.0 111.4 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt -62.81 -52.05 64.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -142.38 10.4 1.88 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 54.88 -87.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.999 1.319 . . . . 0.0 110.936 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -159.88 97.19 1.28 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 p -76.51 67.15 2.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.433 0.693 . . . . 0.0 111.545 -175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.311 0.0 OUTLIER 34.19 -68.47 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 130.431 3.492 . . . . 0.0 117.183 174.157 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.9 -40.19 61.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.544 0.738 . . . . 0.0 109.83 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -79.32 140.87 56.75 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -75.11 67.06 6.09 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.388 2.725 . . . . 0.0 110.294 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 123.965 0.906 . . . . 0.0 110.444 178.669 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.27 -38.59 63.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.776 0.43 . . . . 0.0 109.929 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt -66.56 -60.23 2.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.97 -49.38 62.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.093 0.557 . . . . 0.0 112.323 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 48.74 -136.67 1.02 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.911 0.884 . . . . 0.0 110.385 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -73.04 77.83 1.21 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.498 -0.751 . . . . 0.0 109.364 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m 47.1 58.86 4.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.885 1.274 . . . . 0.0 111.782 171.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.272 1.0 OUTLIER 37.09 39.1 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.239 2.216 . . . . 0.0 114.222 -173.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 70.96 -68.92 0.2 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.774 1.63 . . . . 0.0 110.196 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 123.85 80.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 170.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.03 63.4 6.02 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.388 2.725 . . . . 0.0 113.762 -169.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.244 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.338 0.114 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 30' ' ' THR . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' LEU . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.797 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.491 HG22 HG23 ' A' ' 15' ' ' VAL . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.537 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.568 0.223 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 27' ' ' LEU . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.439 0.161 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 30' ' ' THR . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 15' ' ' VAL . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.087 0.47 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp . . . . . 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.448 0.166 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.91 62.3 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.166 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm -61.12 -54.13 48.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.28 -25.3 61.54 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -34.49 -53.28 0.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.979 2.112 . . . . 0.0 114.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -84.13 -83.78 0.15 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t 43.16 28.8 0.17 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.786 2.035 . . . . 0.0 115.524 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 47.5 37.51 6.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.112 0.965 . . . . 0.0 111.568 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.58 135.62 54.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.548 0.739 . . . . 0.0 109.915 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -65.14 140.11 97.86 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.54 67.87 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.486 2.791 . . . . 0.0 110.614 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.478 0.711 . . . . 0.0 109.961 178.351 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.434 0.159 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.14 12.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.409 1.083 . . . . 0.0 111.169 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 30' ' ' THR . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' LEU . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.797 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.491 HG22 HG23 ' A' ' 15' ' ' VAL . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt -61.83 -53.21 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.11 64.91 0.34 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -172.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -44.2 -47.99 9.27 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.083 0.953 . . . . 0.0 110.782 169.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -72.04 68.49 0.69 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -74.72 70.53 1.87 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.914 . . . . 0.0 111.439 -169.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 58.44 23.11 10.29 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.125 1.37 . . . . 0.0 111.507 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -80.28 60.79 3.86 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 0.0 110.155 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -123.74 70.59 48.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.588 1.155 . . . . 0.0 110.014 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.18 59.7 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.42 2.746 . . . . 0.0 110.568 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.455 -0.211 0 O-C-N 121.297 -0.877 . . . . 0.0 109.651 -177.705 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.62 -47.95 28.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.701 0.801 . . . . 0.0 111.052 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt -59.42 -36.22 75.47 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.65 95.98 2.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.954 0.902 . . . . 0.0 108.917 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.2 70.38 10.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm 86.44 -130.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.706 2.802 . . . . 0.0 106.86 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 m -71.94 64.85 0.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.239 1.016 . . . . 0.0 110.886 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 63.02 -71.89 0.05 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.865 2.066 . . . . 0.0 110.938 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 60.23 -69.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.533 2.733 . . . . 0.0 112.195 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -138.37 74.85 40.41 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.83 116.21 4.17 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.581 2.188 . . . . 0.0 108.619 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.755 1.222 . . . . 0.0 111.131 -175.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.3 45.11 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.37 0.668 . . . . 0.0 110.238 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -64.06 -37.71 88.42 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.27 91.01 1.64 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -56.28 131.3 47.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -146.46 146.63 30.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.583 1.153 . . . . 0.0 108.981 -169.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -60.48 -43.88 96.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.896 0.878 . . . . 0.0 112.666 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -156.25 178.95 9.72 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.504 0.722 . . . . 0.0 109.742 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -76.25 67.68 2.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -131.31 157.58 77.72 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 126.174 1.79 . . . . 0.0 106.877 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.22 64.5 3.51 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.525 2.817 . . . . 0.0 110.997 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 123.652 0.781 . . . . 0.0 109.412 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.005 -0.045 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.87 -53.59 4.58 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.734 1.213 . . . . 0.0 111.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp -70.0 -46.55 64.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.14 -64.19 0.96 Allowed 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.644 0.656 . . . . 0.0 111.408 -173.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 59.14 -69.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.584 2.354 . . . . 0.0 111.706 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -88.83 -168.37 2.17 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -76.18 47.86 0.48 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.261 1.424 . . . . 0.0 113.121 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -77.75 66.39 3.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.075 -1.015 . . . . 0.0 109.148 171.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -64.01 -46.37 84.84 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -62.79 145.07 96.26 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.03 77.33 1.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.295 2.664 . . . . 0.0 110.169 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 124.871 1.269 . . . . 0.0 110.01 177.283 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.4 -47.79 26.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.006 0.923 . . . . 0.0 111.758 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -69.94 -72.69 0.18 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.258 1.8 pp0? -91.23 65.36 5.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.95 0.881 . . . . 0.0 110.256 -174.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -57.03 119.37 6.19 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.525 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt 58.84 24.72 12.73 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.21 1.404 . . . . 0.0 110.759 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m 66.56 -37.99 0.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.717 2.007 . . . . 0.0 114.83 -172.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -140.17 152.55 46.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.4 64.31 1.54 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.472 0.709 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -117.15 155.21 49.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 126.288 1.835 . . . . 0.0 108.623 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.25 70.47 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.458 2.772 . . . . 0.0 110.131 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 110.121 -177.514 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.536 0.419 0 CA-C-O 120.871 0.367 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.81 -55.02 3.85 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.143 1.377 . . . . 0.0 111.549 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt -63.01 -70.46 0.21 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -89.01 -27.54 20.79 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -169.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 67.76 -34.1 0.24 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.885 2.074 . . . . 0.0 116.353 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.56 -46.65 89.4 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.848 1.204 . . . . 0.0 111.638 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 m -78.51 57.04 1.89 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.496 0.719 . . . . 0.0 112.469 -169.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -69.51 -29.62 67.29 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.01 -0.431 . . . . 0.0 110.512 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 64.25 0.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.357 1.463 . . . . 0.0 109.847 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -73.92 138.29 76.32 Favored Pre-proline 0 N--CA 1.451 -0.411 0 C-N-CA 123.963 0.905 . . . . 0.0 108.796 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.55 67.36 6.39 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.321 2.681 . . . . 0.0 110.345 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.008 0.923 . . . . 0.0 111.275 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.396 0.141 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.51 -39.03 47.54 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.854 0.862 . . . . 0.0 111.527 177.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm -91.03 -70.96 0.66 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 76.82 3.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.555 1.942 . . . . 0.0 107.948 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.74 137.9 30.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.115 0.566 . . . . 0.0 109.825 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.75 72.53 0.54 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.763 0.792 . . . . 0.0 109.783 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 m 60.03 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.507 1.523 . . . . 0.0 110.887 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -179.63 153.32 0.54 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.921 2.088 . . . . 0.0 106.444 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -70.35 78.27 0.54 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.082 0.553 . . . . 0.0 109.58 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm 62.7 83.43 0.2 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.662 1.585 . . . . 0.0 110.797 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.51 75.34 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.643 2.228 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 124.493 1.117 . . . . 0.0 110.123 -177.328 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.63 13.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.364 1.066 . . . . 0.0 111.323 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt -87.27 -61.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -75.94 58.84 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.553 1.141 . . . . 0.0 111.106 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -76.71 64.65 2.34 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.753 -0.592 . . . . 0.0 110.418 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.4 -56.31 7.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -76.6 45.8 0.42 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.912 1.285 . . . . 0.0 114.066 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -81.44 -179.36 7.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -74.04 62.09 0.87 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.052 0.541 . . . . 0.0 110.012 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.47 123.65 77.45 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -48.81 129.47 20.93 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.127 2.551 . . . . 0.0 112.437 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.532 0.253 0 C-N-CA 124.688 1.195 . . . . 0.0 111.936 178.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.41 4.82 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.667 1.187 . . . . 0.0 111.276 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt -64.43 -62.32 1.67 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.7 -25.02 13.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 111.964 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 55.96 -80.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.792 1.637 . . . . 0.0 113.999 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 64.19 -57.92 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.457 2.303 . . . . 0.0 112.581 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.4 t -58.55 121.17 10.3 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.72 0.808 . . . . 0.0 109.478 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.69 68.92 0.87 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.355 0.662 . . . . 0.0 111.083 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -76.82 45.67 0.43 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.55 -0.719 . . . . 0.0 109.978 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 pttt 177.12 146.45 0.28 Allowed Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 107.633 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.32 -31.86 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.812 2.341 . . . . 0.0 110.855 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 124.547 1.139 . . . . 0.0 110.69 -179.057 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.48 -50.1 9.6 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.552 1.141 . . . . 0.0 111.366 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 27' ' ' LEU . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt -59.22 -55.09 39.4 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -121.11 84.6 2.26 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.653 0.781 . . . . 0.0 110.269 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -75.07 41.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.219 1.408 . . . . 0.0 113.829 -169.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -47.33 -42.31 21.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.169 1.388 . . . . 0.0 110.433 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -11.51 0.39 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.122 2.569 . . . . 0.0 115.005 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -145.09 -51.37 0.27 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.87 0.759 . . . . 0.0 110.388 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -75.11 81.71 2.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 170.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 112.48 1.47 Allowed Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 124.158 0.983 . . . . 0.0 109.391 169.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -48.1 -46.4 22.46 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.587 2.858 . . . . 0.0 114.901 -172.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.11 0.964 . . . . 0.0 111.216 -172.051 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.79 -39.47 65.47 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 171.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.72 -66.07 0.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.55 53.69 2.41 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.013 0.925 . . . . 0.0 110.585 -172.267 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -74.89 76.05 2.15 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -51.65 134.71 29.76 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.522 0.729 . . . . 0.0 109.448 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.8 m 58.53 46.6 14.65 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.646 0.778 . . . . 0.0 111.068 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 72.77 -45.33 0.62 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.163 2.185 . . . . 0.0 113.353 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -122.6 -68.1 0.91 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.287 1.035 . . . . 0.0 109.891 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -142.65 146.61 39.03 Favored Pre-proline 0 C--O 1.233 0.218 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.38 69.63 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.654 2.903 . . . . 0.0 109.248 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.156 0.982 . . . . 0.0 109.891 -172.657 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.12 -48.58 12.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.833 1.253 . . . . 0.0 112.025 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.28 -36.42 82.92 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.42 84.63 1.57 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 105.2 0.2 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -92.3 -35.36 13.8 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.729 1.211 . . . . 0.0 109.795 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -76.31 58.69 1.31 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.418 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 69.41 5.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.607 0.763 . . . . 0.0 109.64 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -67.67 79.34 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.606 0.763 . . . . 0.0 110.363 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -51.16 140.66 22.07 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.99 92.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.366 2.711 . . . . 0.0 110.561 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.578 1.151 . . . . 0.0 110.507 -177.377 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.28 -39.77 67.24 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm -90.73 -68.1 0.81 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -81.42 71.01 8.41 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.876 1.271 . . . . 0.0 107.699 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.96 146.2 18.35 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.952 177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -81.76 55.15 2.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.758 -0.589 . . . . 0.0 109.941 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.7 t 157.08 -173.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 131.199 3.8 . . . . 0.0 105.197 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -54.95 14.64 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.51 178.71 6.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 110.319 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.85 135.34 65.91 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 123.838 0.855 . . . . 0.0 109.652 173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.92 65.53 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.218 2.612 . . . . 0.0 110.454 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 CA--C 1.531 0.239 0 O-C-N 121.568 -0.708 . . . . 0.0 109.735 -179.468 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.26 -52.15 7.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.779 1.231 . . . . 0.0 111.245 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 30' ' ' THR . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 15' ' ' VAL . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt -52.74 -48.06 66.99 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.69 48.09 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.354 0.979 . . . . 0.0 113.449 -174.23 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.43 82.13 0.79 Allowed 'General case' 0 CA--C 1.529 0.136 0 O-C-N 120.691 -1.256 . . . . 0.0 110.265 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -64.37 77.86 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -78.83 67.17 4.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.809 1.644 . . . . 0.0 108.51 -171.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 68.91 -52.96 0.58 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.022 2.129 . . . . 0.0 111.208 -169.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -109.23 -175.48 2.77 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.121 1.369 . . . . 0.0 108.373 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.57 140.42 96.49 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.8 65.6 6.74 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.159 2.573 . . . . 0.0 110.279 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 121.689 -0.632 . . . . 0.0 109.66 179.66 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.41 69.44 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.343 0.657 . . . . 0.0 110.301 170.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm -80.2 -67.22 0.79 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.75 122.84 44.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -74.14 73.37 1.74 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.691 1.197 . . . . 0.0 111.311 -168.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 68.01 -65.14 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.165 2.186 . . . . 0.0 110.064 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 m -68.55 144.77 54.46 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.45 134.24 53.02 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.84 165.13 18.16 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.95 162.13 13.51 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.9 170.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.63 66.44 0.13 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.165 3.243 . . . . 0.0 112.913 170.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 120.944 -1.098 . . . . 0.0 109.901 -173.36 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.94 74.88 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm -73.14 -62.81 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.62 67.94 8.87 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.69 71.29 0.99 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 122.827 1.299 . . . . 0.0 110.006 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -147.93 -54.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 129.801 3.24 . . . . 0.0 103.693 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -72.25 68.91 0.76 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.679 1.192 . . . . 0.0 108.918 169.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -60.99 -15.16 28.48 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.159 0.983 . . . . 0.0 113.588 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.68 29.58 19.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.937 1.295 . . . . 0.0 110.464 -171.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -69.61 131.38 89.78 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.94 148.3 63.58 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.081 1.854 . . . . 0.0 109.987 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.329 0.652 . . . . 0.0 109.69 -179.053 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mmm . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.05 -53.21 6.51 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.925 1.29 . . . . 0.0 111.407 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp -79.29 -36.41 39.73 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -109.59 -45.35 3.7 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.207 1.403 . . . . 0.0 110.547 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.61 -71.29 0.13 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.691 1.596 . . . . 0.0 112.408 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -32.94 -55.09 0.38 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 127.942 2.497 . . . . 0.0 112.604 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -143.51 138.71 29.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -83.35 62.58 6.8 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -72.81 79.61 1.14 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.466 0.706 . . . . 0.0 110.024 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -52.35 138.63 38.38 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.755 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.1 -41.92 40.02 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.268 2.645 . . . . 0.0 112.54 173.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 123.6 0.76 . . . . 0.0 110.11 178.232 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.07 5.99 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.731 1.212 . . . . 0.0 111.4 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt -62.81 -52.05 64.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -142.38 10.4 1.88 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 54.88 -87.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.999 1.319 . . . . 0.0 110.936 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -159.88 97.19 1.28 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 p -76.51 67.15 2.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.433 0.693 . . . . 0.0 111.545 -175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.311 0.0 OUTLIER 34.19 -68.47 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 130.431 3.492 . . . . 0.0 117.183 174.157 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.9 -40.19 61.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.544 0.738 . . . . 0.0 109.83 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -79.32 140.87 56.75 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -75.11 67.06 6.09 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.388 2.725 . . . . 0.0 110.294 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 123.965 0.906 . . . . 0.0 110.444 178.669 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.27 -38.59 63.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.776 0.43 . . . . 0.0 109.929 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt -66.56 -60.23 2.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.97 -49.38 62.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.093 0.557 . . . . 0.0 112.323 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 48.74 -136.67 1.02 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.911 0.884 . . . . 0.0 110.385 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -73.04 77.83 1.21 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.498 -0.751 . . . . 0.0 109.364 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m 47.1 58.86 4.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.885 1.274 . . . . 0.0 111.782 171.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.272 1.0 OUTLIER 37.09 39.1 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.239 2.216 . . . . 0.0 114.222 -173.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 70.96 -68.92 0.2 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.774 1.63 . . . . 0.0 110.196 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 123.85 80.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 170.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.03 63.4 6.02 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.388 2.725 . . . . 0.0 113.762 -169.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.244 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm . . . . . 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 120.338 0.114 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 30' ' ' THR . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' LEU . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.797 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.491 HG22 HG23 ' A' ' 15' ' ' VAL . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt . . . . . 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 120.537 0.208 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.802 0.334 . . . . 0.0 110.238 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt . . . . . 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.217 0 N-CA-C 111.526 0.195 . . . . 0.0 111.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp . . . . . 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.253 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt . . . . . 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.146 0 N-CA-C 111.549 0.203 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.258 0 CA-C-O 120.568 0.223 . . . . 0.0 111.527 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm . . . . . 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.269 0 CA-C-O 120.675 0.274 . . . . 0.0 111.323 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt . . . . . 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.14 0 CA-C-O 120.579 0.228 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt . . . . . 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.195 0 N-CA-C 111.366 0.136 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 27' ' ' LEU . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt . . . . . 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.193 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 120.439 0.161 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 30' ' ' THR . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 15' ' ' VAL . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt . . . . . 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 121.087 0.47 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm . . . . . 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 111.407 0.151 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp . . . . . 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.178 0 CA-C-O 120.448 0.166 . . . . 0.0 111.4 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.254 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt . . . . . 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.9 mtp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.16 -37.91 62.3 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.626 0.37 . . . . 0.0 110.166 172.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 p -50.69 -62.41 1.62 Allowed 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.406 1.482 . . . . 0.0 110.616 169.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 63.2 t -53.13 -53.7 21.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.748 0.819 . . . . 0.0 109.868 -179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -52.76 -50.03 64.33 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.194 0.598 . . . . 0.0 110.782 178.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -55.79 -51.65 66.71 Favored 'General case' 0 CA--C 1.53 0.212 0 C-N-CA 123.715 0.806 . . . . 0.0 110.579 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.6 mm-40 -59.84 -48.48 81.51 Favored 'General case' 0 CA--C 1.532 0.277 0 O-C-N 122.111 -0.368 . . . . 0.0 111.092 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.3 mt -57.69 -47.6 81.88 Favored 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.132 -0.355 . . . . 0.0 110.084 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -58.23 -45.91 86.85 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.223 0.609 . . . . 0.0 110.867 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -58.61 -51.41 70.04 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.693 0.797 . . . . 0.0 109.561 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -57.59 -45.93 84.67 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 110.554 178.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tt -58.89 -40.69 85.19 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.708 0.803 . . . . 0.0 110.871 176.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.1 -48.76 78.75 Favored 'General case' 0 CA--C 1.531 0.246 0 O-C-N 121.406 -0.809 . . . . 0.0 110.275 176.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -54.42 -45.3 72.97 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 174.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 t -52.66 -58.11 3.21 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 CA-C-O 118.104 -0.951 . . . . 0.0 110.213 172.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -49.73 -52.01 34.65 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 119.511 1.05 . . . . 0.0 111.05 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.77 -51.57 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 122.39 0.276 . . . . 0.0 110.436 177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.6 mt -57.92 -45.28 86.78 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-O 118.342 -0.837 . . . . 0.0 112.008 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.77 -52.35 65.37 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.881 0.764 . . . . 0.0 109.027 179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -57.28 -55.41 35.17 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.499 0.72 . . . . 0.0 110.391 -178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -60.2 -50.99 71.47 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.553 0.692 . . . . 0.0 110.392 -179.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 m -89.05 50.2 1.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.519 1.128 . . . . 0.0 109.935 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.441 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -62.33 -17.27 58.39 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.837 1.255 . . . . 0.0 111.583 178.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -74.16 69.76 1.55 Allowed 'General case' 0 N--CA 1.445 -0.694 0 C-N-CA 124.627 1.171 . . . . 0.0 110.479 177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.302 58.6 pttt 63.1 -37.37 0.15 Allowed 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 129.12 2.968 . . . . 0.0 116.395 177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -33.66 -38.11 0.05 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 128.479 2.712 . . . . 0.0 113.393 174.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.602 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -39.75 -49.71 2.32 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.416 0.686 . . . . 0.0 111.494 174.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -57.2 -55.01 40.28 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.578 0.751 . . . . 0.0 109.718 -175.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -54.67 -55.25 31.7 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 124.808 1.243 . . . . 0.0 109.329 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.8 m -52.91 -56.59 14.8 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 124.849 1.26 . . . . 0.0 110.198 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -54.93 -58.61 6.91 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 124.702 1.201 . . . . 0.0 109.15 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.3 m -54.95 -54.15 46.46 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.876 0.369 . . . . 0.0 110.363 -175.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 65.1 p -61.08 -60.52 3.65 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.863 -177.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -69.53 -39.57 77.43 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 118.982 -0.532 . . . . 0.0 111.822 -169.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -53.92 -43.24 69.58 Favored 'General case' 0 C--N 1.34 0.179 0 CA-C-N 119.245 0.929 . . . . 0.0 110.206 176.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 20.2 m -54.81 -48.69 72.45 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 176.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -59.97 -49.52 77.35 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.672 0.389 . . . . 0.0 111.144 178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.4 mt -51.97 -55.73 8.65 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 C-N-CA 123.603 0.761 . . . . 0.0 109.325 178.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -58.54 -46.75 86.17 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.968 0.507 . . . . 0.0 111.006 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -54.71 -50.41 68.37 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.322 0.649 . . . . 0.0 110.413 177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -63.62 -45.21 91.32 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 118.002 0.365 . . . . 0.0 111.444 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 tp -52.48 -54.71 28.75 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 118.213 0.461 . . . . 0.0 110.115 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -46.95 87.31 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 123.207 0.603 . . . . 0.0 111.598 -179.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -50.91 -62.9 1.33 Allowed 'General case' 0 C--O 1.224 -0.288 0 C-N-CA 124.469 1.108 . . . . 0.0 109.097 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.45 -45.17 80.97 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 119.038 -0.506 . . . . 0.0 111.856 -176.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.4 mtm -61.12 -54.13 48.35 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 119.172 0.897 . . . . 0.0 111.321 177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -72.28 -25.3 61.54 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -173.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -34.49 -53.28 0.52 Allowed 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.979 2.112 . . . . 0.0 114.226 -169.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -84.13 -83.78 0.15 Allowed 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.4 t 43.16 28.8 0.17 Allowed 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 126.786 2.035 . . . . 0.0 115.524 174.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 47.5 37.51 6.47 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.112 0.965 . . . . 0.0 111.568 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -66.58 135.62 54.41 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.548 0.739 . . . . 0.0 109.915 -175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.8 mtpt -65.14 140.11 97.86 Favored Pre-proline 0 CA--C 1.535 0.4 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -74.54 67.87 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.486 2.791 . . . . 0.0 110.614 -178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 . . . . . 0 CA--C 1.532 0.262 0 C-N-CA 123.478 0.711 . . . . 0.0 109.961 178.351 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 tpt . . . . . 0 CA--C 1.533 0.299 0 CA-C-O 120.434 0.159 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.38 -50.14 12.53 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.409 1.083 . . . . 0.0 111.169 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.8 t -52.87 -44.76 67.09 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.118 0.567 . . . . 0.0 111.186 177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.9 t -63.85 -48.7 85.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.9 mt -55.32 -48.22 74.48 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 110.596 -0.15 . . . . 0.0 110.596 177.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -55.86 -50.58 70.22 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.515 0.726 . . . . 0.0 110.711 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.74 -51.37 69.13 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.16 0.436 . . . . 0.0 111.182 178.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.9 mt -57.89 -44.0 86.45 Favored 'General case' 0 CA--C 1.536 0.413 0 O-C-N 122.084 -0.385 . . . . 0.0 110.297 178.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.9 tp-100 -61.08 -45.65 93.84 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 121.877 -0.515 . . . . 0.0 110.888 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -60.1 -45.58 92.49 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.9 -0.5 . . . . 0.0 109.683 176.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -55.09 -51.61 65.82 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.7 tt -51.15 -55.43 17.89 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 110.141 174.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -52.23 -45.45 65.29 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.861 0.864 . . . . 0.0 110.61 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -60.78 -52.67 64.11 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 122.849 0.46 . . . . 0.0 110.405 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 30' ' ' THR . 2.8 p -59.38 -44.63 92.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 C-N-CA 119.537 -0.865 . . . . 0.0 111.035 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -54.33 -52.67 60.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.689 0.677 . . . . 0.0 110.493 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.1 t -55.75 -56.32 13.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.269 0 C-N-CA 123.647 0.779 . . . . 0.0 110.706 177.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.43 -42.02 90.93 Favored 'General case' 0 C--O 1.224 -0.25 0 CA-C-O 119.041 -0.504 . . . . 0.0 111.644 -176.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -60.93 -51.07 70.83 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.092 0.957 . . . . 0.0 109.863 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -55.41 -48.47 74.33 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.957 0.903 . . . . 0.0 110.588 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.1 mttp -77.03 -57.13 4.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-O 121.203 0.525 . . . . 0.0 111.761 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 m -81.98 60.4 4.8 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.067 1.347 . . . . 0.0 111.58 -169.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.494 ' HA ' HD11 ' A' ' 27' ' ' LEU . 31.4 p -65.72 12.06 0.06 Allowed 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 115.163 1.542 . . . . 0.0 115.163 -172.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -90.18 66.38 6.64 Favored 'General case' 0 N--CA 1.453 -0.291 0 O-C-N 120.315 -1.49 . . . . 0.0 109.005 -169.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.4 tptp 70.7 -43.54 0.56 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.613 1.965 . . . . 0.0 113.757 176.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -53.83 -13.21 0.67 Allowed 'General case' 0 CA--C 1.528 0.108 0 C-N-CA 125.236 1.415 . . . . 0.0 114.714 -173.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.797 ' H ' HD12 ' A' ' 27' ' ' LEU . 4.3 mp -40.2 -54.31 2.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 125.393 1.477 . . . . 0.0 110.206 171.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -63.72 -53.22 54.58 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.276 0.56 . . . . 0.0 110.565 -174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.13 -51.3 68.43 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.051 0.94 . . . . 0.0 109.853 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.491 HG22 HG23 ' A' ' 15' ' ' VAL . 55.6 m -58.83 -50.68 73.09 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 124.614 1.166 . . . . 0.0 109.547 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.3 tt -55.7 -59.1 5.33 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 123.307 0.643 . . . . 0.0 109.768 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.5 p -55.83 -51.89 65.91 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 122.251 0.221 . . . . 0.0 110.771 -177.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 m -56.92 -54.65 44.14 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.298 0.239 . . . . 0.0 111.156 -179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -65.95 -43.71 87.16 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 122.179 -0.326 . . . . 0.0 110.421 -174.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.5 tttm -51.61 -50.62 59.89 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 173.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.5 m -55.2 -52.12 64.35 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.392 -0.337 . . . . 0.0 110.752 177.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? -53.17 -54.02 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.437 0.562 . . . . 0.0 111.712 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 79.8 mt -53.9 -55.97 11.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 124.649 1.179 . . . . 0.0 109.589 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -59.48 -44.61 93.0 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.454 0.302 . . . . 0.0 111.138 -179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 98.4 m -56.99 -52.86 63.57 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.271 0.628 . . . . 0.0 109.963 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -54.69 -56.94 13.89 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.283 0.633 . . . . 0.0 110.142 177.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 67.1 tp -50.54 -56.21 12.69 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 122.999 0.52 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -66.66 -37.9 85.73 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 121.787 -0.571 . . . . 0.0 111.689 -174.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -58.17 -48.93 78.76 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 123.769 0.828 . . . . 0.0 110.175 172.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -65.06 -33.13 75.29 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 119.203 -0.427 . . . . 0.0 110.72 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 61.8 mtt -61.83 -53.21 58.99 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.877 0.762 . . . . 0.0 110.958 170.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -160.11 64.91 0.34 Allowed 'General case' 0 CA--C 1.535 0.372 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -172.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -44.2 -47.99 9.27 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.083 0.953 . . . . 0.0 110.782 169.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.8 ptmt -72.04 68.49 0.69 Allowed 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 169.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 78.2 p -74.72 70.53 1.87 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.984 0.914 . . . . 0.0 111.439 -169.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 58.44 23.11 10.29 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.125 1.37 . . . . 0.0 111.507 173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.5 ptmm? -80.28 60.79 3.86 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.134 0.974 . . . . 0.0 110.155 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 36.0 mmtp -123.74 70.59 48.23 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 124.588 1.155 . . . . 0.0 110.014 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_endo -75.18 59.7 5.38 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 123.42 2.746 . . . . 0.0 110.568 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 . . . . . 0 N--CA 1.455 -0.211 0 O-C-N 121.297 -0.877 . . . . 0.0 109.651 -177.705 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.62 -47.95 28.68 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.701 0.801 . . . . 0.0 111.052 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -53.8 -45.85 70.88 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 123.083 0.553 . . . . 0.0 111.021 175.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.5 t -62.29 -50.44 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.5 mt -54.41 -49.32 70.21 Favored 'General case' 0 CA--C 1.533 0.326 0 O-C-N 122.387 -0.196 . . . . 0.0 110.598 178.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -54.17 -52.7 60.33 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.803 0.841 . . . . 0.0 110.573 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.46 -48.43 81.69 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 122.104 -0.372 . . . . 0.0 111.47 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.7 mt -58.74 -47.91 83.02 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.791 -0.568 . . . . 0.0 110.169 177.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -56.67 -43.5 80.49 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.968 0.507 . . . . 0.0 110.703 176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -63.48 -45.57 90.15 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 121.857 -0.527 . . . . 0.0 110.601 177.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 37.1 t0 -57.16 -41.98 80.23 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-O 121.253 0.549 . . . . 0.0 109.973 177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -60.5 -44.77 95.63 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.672 0.789 . . . . 0.0 110.007 172.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 24.2 tp10 -59.08 -46.1 89.14 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.027 -1.045 . . . . 0.0 109.938 178.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -56.1 -47.98 77.02 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 123.448 0.699 . . . . 0.0 109.81 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.06 -47.87 82.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 CA-C-O 118.611 -0.709 . . . . 0.0 110.583 177.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -56.55 -52.94 62.88 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 119.012 0.823 . . . . 0.0 111.007 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.7 t -50.46 -52.92 14.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 C-N-CA 123.08 0.552 . . . . 0.0 110.346 179.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.0 mt -62.7 -45.15 94.08 Favored 'General case' 0 CA--C 1.532 0.279 0 O-C-N 122.087 -0.383 . . . . 0.0 111.422 179.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tp -53.12 -44.81 67.98 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.776 1.23 . . . . 0.0 109.982 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -66.06 -60.73 2.55 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 122.529 0.332 . . . . 0.0 110.282 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -66.05 -57.83 6.86 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 -169.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.5 m -85.57 56.42 3.95 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 121.436 -0.79 . . . . 0.0 110.168 -169.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 37.89 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 117.847 2.536 . . . . 0.0 117.847 -168.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtp85 -90.2 179.98 5.78 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.097 -1.002 . . . . 0.0 108.861 169.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -21.57 5.9 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.22 -0.925 . . . . 0.0 112.468 170.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -45.2 -32.72 1.99 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.274 1.83 . . . . 0.0 111.744 173.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.0 mp -42.19 -50.64 4.83 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.989 0.916 . . . . 0.0 112.427 169.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.3 tmm_? -58.52 -54.94 41.36 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -176.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -56.62 -53.34 58.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.914 0.885 . . . . 0.0 110.101 -178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.9 m -56.0 -55.9 27.16 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.354 1.062 . . . . 0.0 110.135 -178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.56 -56.2 19.12 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.408 0.683 . . . . 0.0 109.234 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.9 m -56.34 -51.53 67.94 Favored 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.094 0.246 . . . . 0.0 110.538 -176.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.2 m -57.24 -55.89 28.86 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 122.647 0.379 . . . . 0.0 110.456 -177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -64.24 -46.77 82.31 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -174.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 21.5 ttpp -52.78 -52.56 56.23 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.4 m -55.48 -53.47 55.87 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 119.569 -0.253 . . . . 0.0 110.764 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.6 -55.92 18.95 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 122.477 0.311 . . . . 0.0 110.92 177.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 71.7 mt -52.99 -55.84 10.36 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 123.779 0.832 . . . . 0.0 110.128 -178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -55.22 -50.26 69.86 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.116 0.566 . . . . 0.0 110.506 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.3 m -56.09 -54.19 48.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.494 0.718 . . . . 0.0 110.682 -179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -58.91 -53.25 60.48 Favored 'General case' 0 C--O 1.233 0.188 0 C-N-CA 123.405 0.682 . . . . 0.0 110.194 -179.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.0 -55.09 19.07 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.73 0.812 . . . . 0.0 109.715 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -56.63 -55.68 30.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 119.44 -0.314 . . . . 0.0 110.563 178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -47.74 -50.72 24.53 Favored 'General case' 0 N--CA 1.465 0.278 0 C-N-CA 123.279 0.632 . . . . 0.0 110.547 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 25.5 mmtp -52.16 -33.32 39.87 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.5 mmt -59.42 -36.22 75.47 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 119.263 0.938 . . . . 0.0 111.231 179.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.65 95.98 2.3 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.954 0.902 . . . . 0.0 108.917 -178.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -85.2 70.38 10.86 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.94 -1.134 . . . . 0.0 107.94 -173.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.7 mtmm 86.44 -130.47 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 128.706 2.802 . . . . 0.0 106.86 -169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 m -71.94 64.85 0.52 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 124.239 1.016 . . . . 0.0 110.886 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 63.02 -71.89 0.05 Allowed 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 126.865 2.066 . . . . 0.0 110.938 -169.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 60.23 -69.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 128.533 2.733 . . . . 0.0 112.195 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -138.37 74.85 40.41 Favored Pre-proline 0 N--CA 1.451 -0.387 0 C-N-CA 125.431 1.492 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -67.83 116.21 4.17 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.581 2.188 . . . . 0.0 108.619 -178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 . . . . . 0 N--CA 1.456 -0.173 0 C-N-CA 124.755 1.222 . . . . 0.0 111.131 -175.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -49.31 -45.3 45.11 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.37 0.668 . . . . 0.0 110.238 171.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -49.95 -48.58 51.89 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.113 0.965 . . . . 0.0 111.288 173.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -63.96 -46.0 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.57 -48.2 69.38 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.085 0.402 . . . . 0.0 110.466 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -59.88 -44.87 93.95 Favored 'General case' 0 CA--C 1.532 0.285 0 O-C-N 122.077 -0.389 . . . . 0.0 111.809 176.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -56.32 -48.33 76.93 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.725 0.693 . . . . 0.0 110.66 175.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.0 mt -60.62 -43.38 97.56 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 121.847 -0.533 . . . . 0.0 110.858 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -59.99 -43.41 95.18 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.714 -0.616 . . . . 0.0 111.049 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -59.53 -48.88 79.93 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.699 -0.625 . . . . 0.0 109.55 175.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -55.18 -46.71 75.82 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.616 -0.677 . . . . 0.0 110.745 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.2 tp -52.68 -48.49 66.48 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.857 0.863 . . . . 0.0 110.24 174.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.1 tp10 -52.55 -49.72 64.34 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.878 0.471 . . . . 0.0 109.991 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -54.82 -50.74 67.83 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-O 118.723 -0.655 . . . . 0.0 111.551 175.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.4 p -64.75 -43.46 96.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 118.154 -1.418 . . . . 0.0 111.168 -176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -61.29 -43.19 99.28 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 118.42 -1.312 . . . . 0.0 111.048 178.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 37.2 t -56.35 -53.54 38.83 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.774 -0.579 . . . . 0.0 110.521 176.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.6 mt -60.35 -41.72 94.24 Favored 'General case' 0 CA--C 1.53 0.177 0 O-C-N 122.084 -0.385 . . . . 0.0 111.098 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.06 -51.25 68.52 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.638 1.175 . . . . 0.0 110.103 177.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -59.95 -53.1 61.8 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 121.979 0.111 . . . . 0.0 110.803 176.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -73.63 -70.71 0.36 Allowed 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 121.342 0.591 . . . . 0.0 112.219 -172.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -81.93 65.5 7.09 Favored 'General case' 0 N--CA 1.452 -0.352 0 O-C-N 121.529 -0.732 . . . . 0.0 109.731 -173.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.0 t -73.01 42.77 0.11 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.238 1.415 . . . . 0.0 113.542 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.5 mtm-85 -90.17 -179.49 5.67 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 125.569 1.547 . . . . 0.0 108.343 169.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 mttp -49.68 -29.3 7.16 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 112.907 175.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -23.76 8.79 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.512 -0.756 . . . . 0.0 112.639 -176.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.1 mp -46.98 -52.95 13.48 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.687 0.676 . . . . 0.0 110.842 169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.0 tpt85 -60.99 -57.98 10.34 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 -174.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -52.92 -55.98 19.32 Favored 'General case' 0 C--O 1.233 0.236 0 C-N-CA 123.408 0.683 . . . . 0.0 110.472 -177.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 91.6 m -58.88 -54.64 44.81 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.572 1.149 . . . . 0.0 109.799 -176.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -55.51 -56.51 19.45 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 -178.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.8 m -54.84 -56.59 17.8 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.884 0.373 . . . . 0.0 110.264 -176.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.3 m -61.59 -52.68 63.39 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.045 0.45 . . . . 0.0 110.744 -174.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -68.28 -43.68 77.2 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.523 -172.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -54.23 -50.65 66.69 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 50.9 m -53.94 -53.72 48.86 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.591 -0.242 . . . . 0.0 110.751 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -53.87 -53.76 48.0 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 117.98 0.354 . . . . 0.0 111.409 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.35 -55.71 9.53 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 C-N-CA 123.672 0.789 . . . . 0.0 109.809 -179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -45.5 88.41 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.801 0.273 . . . . 0.0 111.241 179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.5 m -55.12 -53.83 50.97 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 122.847 0.459 . . . . 0.0 110.348 178.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -62.3 -51.66 66.79 Favored 'General case' 0 N--CA 1.454 -0.238 0 O-C-N 122.198 -0.313 . . . . 0.0 110.593 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.3 tp -49.4 -51.45 35.02 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.868 0.867 . . . . 0.0 110.161 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -58.86 -55.26 37.4 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.793 0.437 . . . . 0.0 110.224 175.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -45.08 -53.03 8.4 Favored 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 124.041 0.936 . . . . 0.0 110.959 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.1 mmtm -56.64 -24.72 50.27 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 114.031 1.123 . . . . 0.0 114.031 -178.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.6 mtt -64.06 -37.71 88.42 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 120.162 1.347 . . . . 0.0 111.401 176.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -151.27 91.01 1.64 Allowed 'General case' 0 CA--C 1.529 0.137 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.3 mp0 -56.28 131.3 47.67 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 -168.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -146.46 146.63 30.64 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.583 1.153 . . . . 0.0 108.981 -169.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.7 m -60.48 -43.88 96.5 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.896 0.878 . . . . 0.0 112.666 -169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -156.25 178.95 9.72 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.504 0.722 . . . . 0.0 109.742 -179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.6 tttt -76.25 67.68 2.54 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.028 0.931 . . . . 0.0 110.746 -176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 46.5 mmtm -131.31 157.58 77.72 Favored Pre-proline 0 CA--C 1.529 0.153 0 C-N-CA 126.174 1.79 . . . . 0.0 106.877 172.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -72.22 64.5 3.51 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.525 2.817 . . . . 0.0 110.997 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 . . . . . 0 N--CA 1.454 -0.272 0 C-N-CA 123.652 0.781 . . . . 0.0 109.412 179.492 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.2 ttp . . . . . 0 CA--C 1.535 0.389 0 CA-C-O 120.005 -0.045 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.87 -53.59 4.58 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.734 1.213 . . . . 0.0 111.526 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -52.68 -42.29 64.63 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.884 0.874 . . . . 0.0 112.006 177.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -65.66 -47.71 85.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -55.02 -46.57 75.25 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 117.758 0.254 . . . . 0.0 110.492 176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -56.22 -51.4 68.22 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.3 0.64 . . . . 0.0 110.459 176.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -56.32 -45.82 80.13 Favored 'General case' 0 CA--C 1.535 0.394 0 O-C-N 121.9 -0.5 . . . . 0.0 111.527 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 86.1 mt -60.95 -43.6 98.47 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.518 -0.739 . . . . 0.0 111.18 177.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -46.78 84.68 Favored 'General case' 0 CA--C 1.53 0.187 0 O-C-N 121.882 -0.511 . . . . 0.0 110.139 175.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -58.03 -51.74 68.4 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 177.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -53.66 -50.06 66.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.06 0.544 . . . . 0.0 110.528 179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.0 tt -50.61 -52.7 36.9 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.987 0.915 . . . . 0.0 109.309 173.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -55.25 -48.86 73.36 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 122.503 0.321 . . . . 0.0 110.195 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -55.87 -53.73 53.25 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.01 0.524 . . . . 0.0 111.06 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 p -62.35 -39.3 83.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 C-N-CA 119.519 -0.872 . . . . 0.0 111.578 -178.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -59.66 -49.16 78.82 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 119.408 1.004 . . . . 0.0 110.664 174.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.2 t -51.28 -49.68 29.74 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 O-C-N 121.951 -0.468 . . . . 0.0 110.458 174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.31 -40.4 94.03 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.617 -0.677 . . . . 0.0 111.717 175.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.9 tp -53.4 -48.81 68.36 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.443 1.097 . . . . 0.0 109.308 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -64.44 -50.32 68.01 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.406 0.682 . . . . 0.0 110.912 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.7 mttp -79.75 -59.82 2.59 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -170.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.1 m -84.9 70.01 10.83 Favored 'General case' 0 N--CA 1.454 -0.262 0 O-C-N 121.467 -0.77 . . . . 0.0 109.971 -169.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 70.7 p -72.43 45.16 0.13 Allowed 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 115.847 1.795 . . . . 0.0 115.847 -169.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -90.44 171.1 9.67 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 168.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -46.67 -27.18 1.09 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.031 0.932 . . . . 0.0 112.118 171.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.59 -28.13 3.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 117.827 -1.082 . . . . 0.0 112.724 -179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.5 mp -37.91 -55.34 1.22 Allowed 'General case' 0 C--N 1.341 0.212 0 CA-C-N 118.872 0.76 . . . . 0.0 110.981 171.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtp180 -63.31 -57.39 10.53 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-O 121.015 0.436 . . . . 0.0 109.984 -172.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.97 -54.58 43.13 Favored 'General case' 0 C--O 1.233 0.194 0 C-N-CA 124.263 1.025 . . . . 0.0 109.905 -176.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.1 m -57.67 -53.85 53.53 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 124.52 1.128 . . . . 0.0 109.265 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.97 -54.25 48.85 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 -177.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.5 m -55.92 -51.94 65.85 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.9 m -59.33 -53.47 57.8 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.691 0.281 . . . . 0.0 110.601 -177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.92 -44.43 92.91 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 -175.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -52.48 -50.74 62.09 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 123.384 0.673 . . . . 0.0 109.517 173.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -55.94 -51.51 67.42 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 119.739 -0.172 . . . . 0.0 110.732 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -53.8 -54.53 37.02 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.784 0.434 . . . . 0.0 111.311 176.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.1 mt -52.65 -54.36 16.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.48 0.712 . . . . 0.0 109.873 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -58.09 -47.97 81.59 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.246 0.219 . . . . 0.0 110.796 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.1 m -54.06 -54.15 43.23 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.292 0.637 . . . . 0.0 110.199 178.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -56.5 -55.18 36.96 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.334 0.653 . . . . 0.0 110.547 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -51.77 -60.96 2.57 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 123.604 0.762 . . . . 0.0 110.2 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -57.35 -44.02 83.99 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.669 0.788 . . . . 0.0 111.285 -177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -57.55 -53.63 55.97 Favored 'General case' 0 C--O 1.226 -0.161 0 CA-C-N 118.06 0.391 . . . . 0.0 110.422 175.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp -62.99 -41.14 99.5 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.673 0.789 . . . . 0.0 111.273 -172.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 ptp -70.0 -46.55 64.9 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 119.388 -0.925 . . . . 0.0 111.43 174.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -71.14 -64.19 0.96 Allowed 'General case' 0 C--N 1.34 0.163 0 CA-C-N 118.644 0.656 . . . . 0.0 111.408 -173.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 59.14 -69.81 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 127.584 2.354 . . . . 0.0 111.706 -171.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -88.83 -168.37 2.17 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 108.391 -0.966 . . . . 0.0 108.391 169.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.7 p -76.18 47.86 0.48 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.261 1.424 . . . . 0.0 113.121 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -77.75 66.39 3.42 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.075 -1.015 . . . . 0.0 109.148 171.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -64.01 -46.37 84.84 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 171.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.7 pttm -62.79 145.07 96.26 Favored Pre-proline 0 CA--C 1.536 0.432 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 169.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -70.03 77.33 1.18 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.295 2.664 . . . . 0.0 110.169 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 . . . . . 0 N--CA 1.454 -0.247 0 C-N-CA 124.871 1.269 . . . . 0.0 110.01 177.283 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.0 mmm . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 110.667 -0.123 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -47.4 -47.79 26.34 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 124.006 0.923 . . . . 0.0 111.758 -178.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -57.28 -42.16 81.11 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.289 0.636 . . . . 0.0 111.721 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -64.58 -50.69 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 91.2 mt -53.58 -47.64 69.92 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.474 0.31 . . . . 0.0 110.302 177.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -55.02 -54.21 45.93 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.57 0.748 . . . . 0.0 110.497 177.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -58.52 -47.03 85.49 Favored 'General case' 0 CA--C 1.532 0.274 0 O-C-N 122.043 -0.411 . . . . 0.0 111.538 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.9 mt -59.49 -45.91 90.32 Favored 'General case' 0 CA--C 1.533 0.309 0 O-C-N 121.624 -0.672 . . . . 0.0 110.56 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.95 -45.05 87.26 Favored 'General case' 0 CA--C 1.533 0.316 0 O-C-N 121.821 -0.549 . . . . 0.0 110.848 175.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -56.0 -48.29 76.18 Favored 'General case' 0 N--CA 1.454 -0.232 0 O-C-N 121.731 -0.606 . . . . 0.0 109.495 174.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -60.41 -36.4 78.05 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.666 -0.646 . . . . 0.0 111.111 178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.83 -47.08 77.86 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.234 1.013 . . . . 0.0 109.437 170.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -59.75 -45.97 90.58 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 121.787 -0.57 . . . . 0.0 109.767 175.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -56.1 -52.53 63.97 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-O 118.792 -0.623 . . . . 0.0 111.265 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.3 p -57.24 -46.3 84.95 Favored 'Isoleucine or valine' 0 C--N 1.341 0.239 0 CA-C-N 119.253 0.933 . . . . 0.0 110.711 177.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -55.42 -57.47 11.74 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 118.743 0.702 . . . . 0.0 111.18 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.8 t -52.62 -54.03 17.57 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.867 0.867 . . . . 0.0 110.655 -178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.1 mt -58.83 -46.44 87.68 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-O 118.993 -0.527 . . . . 0.0 111.048 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tt -56.89 -49.07 76.65 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.07 0.548 . . . . 0.0 110.409 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -60.89 -53.26 59.44 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.461 0.705 . . . . 0.0 110.896 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -65.66 -50.47 64.83 Favored 'General case' 0 CA--C 1.532 0.259 0 O-C-N 121.891 -0.506 . . . . 0.0 111.088 -176.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.2 m -82.89 48.44 1.35 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 125.315 1.446 . . . . 0.0 110.576 -173.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.66 26.87 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 126.397 1.879 . . . . 0.0 113.434 -170.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.4 mmt-85 -90.26 -50.03 6.21 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.075 -1.016 . . . . 0.0 110.976 -176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -172.02 -40.12 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.041 1.736 . . . . 0.0 108.399 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 27.9 mmm180 -43.34 -27.25 0.24 Allowed 'General case' 0 C--N 1.34 0.161 0 C-N-CA 126.375 1.87 . . . . 0.0 113.759 177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.2 mp -39.25 -53.14 1.94 Allowed 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.921 0.782 . . . . 0.0 110.767 169.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 mtp-105 -56.96 -58.33 8.64 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 123.713 0.805 . . . . 0.0 109.789 -177.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 -51.7 68.3 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.87 1.268 . . . . 0.0 109.898 -173.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 34.9 p -62.65 -53.67 51.11 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.238 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -48.4 -61.98 1.73 Allowed 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.659 0.663 . . . . 0.0 109.416 178.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 38.6 p -56.5 -65.45 0.61 Allowed 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.676 0.274 . . . . 0.0 110.838 -177.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 m -60.91 -51.37 69.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.753 0.421 . . . . 0.0 111.298 -170.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -70.12 -43.17 71.54 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -172.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -58.95 -45.57 90.14 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.854 0.752 . . . . 0.0 110.018 173.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 56.2 m -55.26 -49.08 72.98 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 119.488 -0.291 . . . . 0.0 110.811 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.7 mmtp -54.73 -50.71 67.7 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.394 0.543 . . . . 0.0 111.138 175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 94.6 mt -53.32 -55.77 11.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 CA-C-N 118.357 0.526 . . . . 0.0 109.959 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -57.33 -48.36 79.19 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.01 0.524 . . . . 0.0 110.613 -177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.9 m -54.77 -53.45 55.02 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.671 0.788 . . . . 0.0 110.055 178.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -66.49 -38.61 87.64 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 119.113 -0.47 . . . . 0.0 111.782 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 37.3 tp -55.53 -54.05 48.83 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 119.043 0.838 . . . . 0.0 109.583 173.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -58.86 -45.37 90.26 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.151 0.58 . . . . 0.0 110.968 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.3 t30 -54.86 -55.93 25.03 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.24 1.016 . . . . 0.0 110.543 174.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 43.0 mmtm -62.94 -29.96 71.2 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.438 0.695 . . . . 0.0 111.374 -176.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.7 mtt -69.94 -72.69 0.18 Allowed 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.697 0.68 . . . . 0.0 109.88 169.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.258 1.8 pp0? -91.23 65.36 5.41 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 121.95 0.881 . . . . 0.0 110.256 -174.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -57.03 119.37 6.19 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.525 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.8 mtmt 58.84 24.72 12.73 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 125.21 1.404 . . . . 0.0 110.759 -176.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.2 m 66.56 -37.99 0.3 Allowed 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 126.717 2.007 . . . . 0.0 114.83 -172.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -140.17 152.55 46.13 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 172.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -75.4 64.31 1.54 Allowed 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.472 0.709 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -117.15 155.21 49.89 Favored Pre-proline 0 CA--C 1.531 0.219 0 C-N-CA 126.288 1.835 . . . . 0.0 108.623 178.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -71.25 70.47 2.41 Favored 'Trans proline' 0 CA--C 1.537 0.629 0 C-N-CA 123.458 2.772 . . . . 0.0 110.131 175.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 . . . . . 0 CA--C 1.532 0.275 0 C-N-CA 124.736 1.214 . . . . 0.0 110.121 -177.514 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 CA--C 1.536 0.419 0 CA-C-O 120.871 0.367 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -42.81 -55.02 3.85 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.143 1.377 . . . . 0.0 111.549 -177.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 m -48.93 -43.46 39.55 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.605 1.162 . . . . 0.0 112.325 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.4 t -65.92 -51.04 65.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.8 mt -53.36 -48.92 68.15 Favored 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -56.4 -58.25 8.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 124.003 0.921 . . . . 0.0 111.114 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -63.43 -40.84 98.24 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 119.97 -0.692 . . . . 0.0 111.574 -175.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.46 -43.86 96.13 Favored 'General case' 0 CA--C 1.531 0.244 0 O-C-N 121.554 -0.716 . . . . 0.0 110.55 176.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -56.67 -45.7 81.55 Favored 'General case' 0 CA--C 1.535 0.374 0 O-C-N 121.695 -0.628 . . . . 0.0 110.729 173.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -57.45 -47.03 82.91 Favored 'General case' 0 CA--C 1.531 0.241 0 O-C-N 121.917 -0.489 . . . . 0.0 110.001 175.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -57.37 -42.04 81.32 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 121.747 -0.595 . . . . 0.0 111.23 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.98 -51.58 63.43 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.334 1.054 . . . . 0.0 109.339 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -55.13 -48.27 73.9 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.955 -0.466 . . . . 0.0 110.679 175.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -55.28 -50.12 70.35 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 122.025 -0.422 . . . . 0.0 110.94 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.2 -37.36 79.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 118.17 -0.919 . . . . 0.0 111.712 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -54.54 -57.41 11.51 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 120.145 1.339 . . . . 0.0 110.767 170.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -47.57 -53.04 4.97 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 123.397 0.679 . . . . 0.0 110.58 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 87.5 mt -64.11 -49.36 72.53 Favored 'General case' 0 CA--C 1.53 0.198 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.1 pp -61.81 -35.28 77.76 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 118.694 0.679 . . . . 0.0 110.192 -176.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.44 -62.45 1.67 Allowed 'General case' 0 CA--C 1.534 0.349 0 O-C-N 122.079 -0.388 . . . . 0.0 110.308 171.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 mttp -66.22 -55.19 17.4 Favored 'General case' 0 CA--C 1.531 0.238 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -169.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.1 m -85.62 59.37 5.59 Favored 'General case' 0 C--N 1.33 -0.247 0 O-C-N 121.652 -0.655 . . . . 0.0 109.804 -171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.55 42.8 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.885 2.074 . . . . 0.0 116.427 -169.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 69.5 mtm180 -90.21 -171.84 3.26 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.061 0.944 . . . . 0.0 109.196 169.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -56.89 -25.82 57.67 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.186 -0.946 . . . . 0.0 112.568 174.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -54.16 -24.06 16.63 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 -171.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 2.8 mp -42.96 -53.33 4.79 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.971 1.308 . . . . 0.0 111.192 175.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.9 mtp85 -65.9 -50.98 62.54 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 118.337 0.517 . . . . 0.0 110.857 -174.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -54.01 -53.58 51.03 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 123.796 0.838 . . . . 0.0 109.723 179.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 69.3 m -59.64 -51.04 71.5 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.557 1.143 . . . . 0.0 109.793 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.05 -55.02 26.94 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.822 0.849 . . . . 0.0 109.782 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.6 m -57.34 -51.81 67.9 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 122.729 0.412 . . . . 0.0 110.276 -178.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.8 m -57.74 -52.72 64.31 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 122.658 0.383 . . . . 0.0 110.672 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -62.97 -46.84 85.8 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.89 -51.4 61.31 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 175.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.2 m -55.39 -53.97 49.53 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 122.12 0.168 . . . . 0.0 110.699 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.4 mmtp -52.26 -56.06 17.19 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.014 0.526 . . . . 0.0 110.922 177.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -53.14 -56.06 9.68 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.772 0.829 . . . . 0.0 110.021 -178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 77.4 mt-10 -55.14 -48.51 73.57 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 117.766 0.257 . . . . 0.0 110.951 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.6 m -56.32 -54.43 45.59 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.34 0.656 . . . . 0.0 110.665 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -59.27 -47.69 84.43 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.733 0.813 . . . . 0.0 110.697 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.0 tp -54.87 -56.98 13.61 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 122.999 0.52 . . . . 0.0 109.698 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.9 tpmt? -60.06 -41.15 91.76 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.642 0.377 . . . . 0.0 110.942 -179.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -52.8 -60.57 3.1 Favored 'General case' 0 C--O 1.225 -0.206 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -69.91 -24.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-O 118.823 -0.608 . . . . 0.0 112.089 -173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 47.1 mtt -63.01 -70.46 0.21 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 119.006 0.821 . . . . 0.0 111.202 169.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.9 pp0? -89.01 -27.54 20.79 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -169.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 75.7 mt-30 67.76 -34.1 0.24 Allowed 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.885 2.074 . . . . 0.0 116.353 169.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -60.56 -46.65 89.4 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 119.848 1.204 . . . . 0.0 111.638 -178.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 m -78.51 57.04 1.89 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.496 0.719 . . . . 0.0 112.469 -169.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -69.51 -29.62 67.29 Favored 'General case' 0 CA--C 1.53 0.2 0 O-C-N 122.01 -0.431 . . . . 0.0 110.512 171.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.99 64.25 0.51 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 125.357 1.463 . . . . 0.0 109.847 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.4 mtmm -73.92 138.29 76.32 Favored Pre-proline 0 N--CA 1.451 -0.411 0 C-N-CA 123.963 0.905 . . . . 0.0 108.796 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -75.55 67.36 6.39 Favored 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.321 2.681 . . . . 0.0 110.345 -178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.286 0 C-N-CA 124.008 0.923 . . . . 0.0 111.275 179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.1 ttp . . . . . 0 CA--C 1.536 0.408 0 CA-C-O 120.396 0.141 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -50.51 -39.03 47.54 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.854 0.862 . . . . 0.0 111.527 177.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 p -51.92 -63.83 1.01 Allowed 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.798 1.239 . . . . 0.0 110.166 172.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 96.2 t -51.67 -51.66 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 C-N-CA 124.269 1.028 . . . . 0.0 110.237 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.0 mt -52.75 -50.03 64.3 Favored 'General case' 0 CA--C 1.531 0.243 0 O-C-N 122.379 -0.201 . . . . 0.0 110.663 177.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.67 -45.89 92.41 Favored 'General case' 0 CA--C 1.532 0.256 0 O-C-N 122.33 -0.231 . . . . 0.0 111.001 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -54.84 -52.45 62.72 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 122.999 0.52 . . . . 0.0 110.075 177.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.6 mt -61.27 -43.75 98.36 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 122.306 0.242 . . . . 0.0 110.48 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -58.77 -46.93 86.36 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.478 0.711 . . . . 0.0 111.098 176.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -50.65 73.07 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.848 0.859 . . . . 0.0 108.989 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -55.38 -50.94 68.39 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.711 0.291 . . . . 0.0 110.854 177.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -50.48 -49.91 54.09 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.637 1.175 . . . . 0.0 110.401 174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -58.14 -48.59 79.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 122.931 0.492 . . . . 0.0 110.486 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -54.62 -53.27 56.94 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 118.037 0.381 . . . . 0.0 110.91 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -62.21 -37.45 78.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 C-N-CA 119.181 -1.008 . . . . 0.0 111.384 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -57.76 -53.17 61.17 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.48 1.037 . . . . 0.0 110.064 175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 41.4 t -53.32 -51.14 43.31 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 C-N-CA 123.709 0.804 . . . . 0.0 110.406 178.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 92.1 mt -62.0 -47.45 84.73 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 122.23 -0.294 . . . . 0.0 111.381 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 tt -50.54 -47.56 57.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.764 1.226 . . . . 0.0 109.966 175.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.25 -60.75 3.12 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.023 0.374 . . . . 0.0 111.044 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.4 mttp -67.59 -59.04 3.67 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 122.289 1.042 . . . . 0.0 111.461 -171.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.2 m -82.43 53.54 2.34 Favored 'General case' 0 N--CA 1.446 -0.626 0 C-N-CA 123.856 0.862 . . . . 0.0 110.083 -176.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 38.44 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.504 2.722 . . . . 0.0 113.35 -177.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.7 mmp_? -90.31 -170.3 2.7 Favored 'General case' 0 N--CA 1.446 -0.643 0 C-N-CA 125.324 1.45 . . . . 0.0 108.31 177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -51.04 -31.32 18.08 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.32 1.048 . . . . 0.0 112.415 174.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -60.48 -21.95 62.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -169.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.6 mp -47.85 -58.18 4.7 Favored 'General case' 0 C--O 1.225 -0.19 0 CA-C-N 118.957 0.799 . . . . 0.0 112.766 -173.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.47 -46.57 89.6 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.362 0.528 . . . . 0.0 109.611 -174.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -56.27 -54.26 47.43 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.889 0.852 . . . . 0.0 109.931 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.5 m -60.46 -48.72 80.52 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.801 1.24 . . . . 0.0 109.982 -176.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.68 -53.24 59.98 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.373 1.069 . . . . 0.0 109.402 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 m -56.36 -51.69 67.34 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 120.734 0.302 . . . . 0.0 110.442 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 31.3 t -55.05 -58.23 8.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.86 0.362 . . . . 0.0 110.185 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -60.02 -44.57 94.5 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.504 -174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -53.9 -48.6 69.97 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 122.956 0.503 . . . . 0.0 109.966 175.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.6 m -56.1 -52.63 63.61 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.751 -0.166 . . . . 0.0 110.574 177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.38 -55.95 23.46 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 122.755 0.422 . . . . 0.0 110.921 177.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 63.5 mt -46.95 -55.83 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.527 0.095 0 C-N-CA 124.963 1.305 . . . . 0.0 109.602 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -59.3 -49.66 76.99 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.611 0.365 . . . . 0.0 111.04 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 93.7 m -53.56 -50.64 65.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.792 0.837 . . . . 0.0 110.891 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -64.24 -55.9 18.36 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.586 0.754 . . . . 0.0 110.206 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.2 tp -47.21 -50.89 19.99 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.961 0.904 . . . . 0.0 110.391 178.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 17.7 tptm -58.72 -58.02 10.44 Favored 'General case' 0 N--CA 1.448 -0.57 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -58.7 -37.2 75.58 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.504 0.928 . . . . 0.0 113.504 -174.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -57.1 -36.99 71.29 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 118.334 0.515 . . . . 0.0 110.898 176.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 66.5 mtm -91.03 -70.96 0.66 Allowed 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 121.671 0.748 . . . . 0.0 109.915 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.0 76.82 3.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.555 1.942 . . . . 0.0 107.948 178.262 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -52.74 137.9 30.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.115 0.566 . . . . 0.0 109.825 172.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -70.75 72.53 0.54 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 121.763 0.792 . . . . 0.0 109.783 171.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 m 60.03 -80.88 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 125.507 1.523 . . . . 0.0 110.887 -170.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -179.63 153.32 0.54 Allowed 'General case' 0 C--O 1.233 0.229 0 C-N-CA 126.921 2.088 . . . . 0.0 106.444 -178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -70.35 78.27 0.54 Allowed 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.082 0.553 . . . . 0.0 109.58 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm 62.7 83.43 0.2 Allowed Pre-proline 0 CA--C 1.539 0.52 0 C-N-CA 125.662 1.585 . . . . 0.0 110.797 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -72.51 75.34 2.52 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 122.643 2.228 . . . . 0.0 109.738 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 124.493 1.117 . . . . 0.0 110.123 -177.328 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 CA--C 1.533 0.305 0 N-CA-C 110.692 -0.114 . . . . 0.0 110.692 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.43 -48.63 13.69 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.364 1.066 . . . . 0.0 111.323 178.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m -51.72 -48.05 63.74 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.053 0.941 . . . . 0.0 111.542 175.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.24 -48.19 86.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 -178.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.5 mt -52.8 -47.19 67.76 Favored 'General case' 0 CA--C 1.533 0.294 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 175.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -59.94 -48.34 82.1 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 122.481 0.312 . . . . 0.0 111.065 178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -53.65 -54.04 43.43 Favored 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 118.462 0.573 . . . . 0.0 110.392 177.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.0 mt -59.96 -43.86 94.79 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 122.428 0.291 . . . . 0.0 110.491 -178.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -57.94 -47.69 82.14 Favored 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 123.64 0.776 . . . . 0.0 111.095 175.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -59.71 -48.28 82.31 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.526 0.73 . . . . 0.0 109.361 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -58.55 -47.78 83.09 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 121.954 -0.466 . . . . 0.0 110.847 175.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.97 -48.64 64.28 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.27 1.028 . . . . 0.0 110.521 176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -55.37 -56.75 16.5 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.133 173.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 -50.79 -55.63 15.92 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.179 0.445 . . . . 0.0 111.571 -178.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.5 p -57.89 -54.75 27.73 Favored 'Isoleucine or valine' 0 C--N 1.338 0.098 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 ttmm -54.76 -51.76 64.69 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.387 0.54 . . . . 0.0 110.493 -175.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.7 t -56.43 -46.91 82.24 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.017 0.927 . . . . 0.0 110.152 178.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 75.6 mt -59.22 -47.36 85.63 Favored 'General case' 0 CA--C 1.532 0.253 0 O-C-N 121.667 -0.645 . . . . 0.0 111.538 176.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -55.56 -47.32 76.58 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.802 0.728 . . . . 0.0 110.334 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.86 -43.57 98.2 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 122.867 0.467 . . . . 0.0 111.589 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -82.51 -66.4 0.89 Allowed 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.5 m -76.66 59.57 1.55 Allowed 'General case' 0 CA--C 1.527 0.079 0 C-N-CA 125.581 1.552 . . . . 0.0 111.204 -169.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -72.61 38.93 0.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 129.416 3.086 . . . . 0.0 114.243 -169.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -90.16 -178.63 5.46 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 171.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 ptmt -54.14 -22.66 11.76 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 121.229 -0.92 . . . . 0.0 112.589 171.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.0 tpt180 -51.2 -24.75 4.59 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 127.647 2.379 . . . . 0.0 113.258 -179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.4 mp -43.59 -56.06 3.93 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 123.795 0.838 . . . . 0.0 113.229 176.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -59.82 -43.63 94.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 118.647 0.658 . . . . 0.0 111.073 -175.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.74 -50.72 72.34 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.776 0.831 . . . . 0.0 109.106 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.7 m -57.49 -52.71 64.28 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.41 1.084 . . . . 0.0 110.224 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -49.74 -59.9 3.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 108.728 -0.841 . . . . 0.0 108.728 177.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.9 m -55.09 -54.2 46.14 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.937 0.399 . . . . 0.0 110.747 -177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -53.83 -53.92 45.65 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.458 0.703 . . . . 0.0 110.681 -176.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -77.09 -40.82 44.6 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 -170.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -51.3 -44.46 61.9 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.811 0.844 . . . . 0.0 110.631 172.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.2 m -54.7 -44.76 73.71 Favored 'General case' 0 CA--C 1.535 0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 111.038 174.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 42.0 mmtm -60.65 -47.74 84.91 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.318 0.508 . . . . 0.0 110.609 176.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 65.2 mt -50.95 -55.74 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.9 -47.52 85.45 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.792 -0.146 . . . . 0.0 110.967 -179.099 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.5 m -52.22 -55.76 19.06 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 123.023 0.529 . . . . 0.0 109.999 178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -55.4 -58.14 8.98 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.605 0.762 . . . . 0.0 110.162 178.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.1 tp -52.22 -51.53 57.69 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.547 0.739 . . . . 0.0 110.599 -175.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 15.8 tptm -67.98 -51.94 41.56 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 -178.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -53.21 -46.61 69.12 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 124.035 0.934 . . . . 0.0 111.795 -178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -60.94 -21.64 63.63 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 119.068 -0.492 . . . . 0.0 112.262 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 63.8 mtt -87.27 -61.14 1.79 Allowed 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 169.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -75.94 58.84 1.2 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.553 1.141 . . . . 0.0 111.106 -177.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 74.7 mt-30 -76.71 64.65 2.34 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.753 -0.592 . . . . 0.0 110.418 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -69.4 -56.31 7.83 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.6 m -76.6 45.8 0.42 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.912 1.285 . . . . 0.0 114.066 -169.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -81.44 -179.36 7.34 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 169.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -74.04 62.09 0.87 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.052 0.541 . . . . 0.0 110.012 172.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -61.47 123.65 77.45 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 175.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -48.81 129.47 20.93 Favored 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 123.127 2.551 . . . . 0.0 112.437 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 . . . . . 0 CA--C 1.532 0.253 0 C-N-CA 124.688 1.195 . . . . 0.0 111.936 178.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttp . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.17 -55.41 4.82 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 124.667 1.187 . . . . 0.0 111.276 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -49.3 -41.4 38.19 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.826 0.85 . . . . 0.0 112.289 177.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.0 t -69.86 -43.06 79.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.3 mt -55.14 -47.29 75.29 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.957 0.799 . . . . 0.0 110.501 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -57.58 -48.22 79.96 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 122.228 -0.295 . . . . 0.0 110.652 175.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -53.24 -49.62 66.45 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.584 176.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.06 -42.39 99.15 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.669 -0.644 . . . . 0.0 110.698 178.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -56.93 -42.94 80.93 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-N 118.918 0.781 . . . . 0.0 110.646 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.2 -52.43 65.6 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 108.811 -0.811 . . . . 0.0 108.811 174.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.89 -33.94 73.89 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.371 -0.831 . . . . 0.0 112.059 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.77 -47.85 84.03 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.154 1.382 . . . . 0.0 108.862 173.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -56.77 -46.45 81.47 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.858 -0.526 . . . . 0.0 110.513 171.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -55.39 -53.13 60.04 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.758 -0.639 . . . . 0.0 111.481 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.8 p -57.13 -43.72 81.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 119.437 1.017 . . . . 0.0 110.814 178.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.4 mttm -55.73 -58.54 7.39 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.972 0.806 . . . . 0.0 110.958 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 55.7 t -52.06 -51.97 26.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.332 0.653 . . . . 0.0 110.574 -178.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 85.1 mt -60.51 -45.53 93.48 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 118.888 -0.577 . . . . 0.0 111.13 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.86 -45.26 78.52 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.984 0.914 . . . . 0.0 110.228 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -63.18 -51.35 66.73 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 122.311 -0.243 . . . . 0.0 111.023 177.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.2 mtpt -78.68 -50.62 11.12 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -169.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 m -74.9 47.51 0.34 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.581 1.552 . . . . 0.0 114.522 -168.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 36.0 p -52.37 -19.01 1.86 Allowed 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 126.219 1.808 . . . . 0.0 115.18 -170.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -71.37 70.43 0.61 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.783 0.833 . . . . 0.0 112.068 -177.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 81.7 tttt 73.15 -48.39 0.68 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 126.665 1.986 . . . . 0.0 113.741 169.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -57.9 -7.84 0.84 Allowed 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 115.476 1.658 . . . . 0.0 115.476 -169.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.7 mp -40.2 -57.65 1.66 Allowed 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.893 1.277 . . . . 0.0 110.391 169.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -57.55 -54.92 41.41 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.86 0.362 . . . . 0.0 110.251 -175.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.36 -55.65 29.12 Favored 'General case' 0 C--O 1.232 0.179 0 C-N-CA 124.024 0.93 . . . . 0.0 110.065 -177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.8 m -56.25 -53.75 53.53 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 125.08 1.352 . . . . 0.0 109.685 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.69 -57.37 11.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.832 0.853 . . . . 0.0 109.502 -179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.1 m -55.35 -58.13 9.01 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.569 0.348 . . . . 0.0 110.202 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.3 p -58.59 -57.39 13.19 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 122.429 0.292 . . . . 0.0 110.729 -175.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -63.07 -44.58 95.4 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.062 0.545 . . . . 0.0 110.326 -173.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -58.15 -48.37 80.46 Favored 'General case' 0 C--N 1.341 0.22 0 O-C-N 121.72 -0.613 . . . . 0.0 110.405 174.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.8 m -55.62 -50.59 69.75 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 117.996 0.362 . . . . 0.0 110.67 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -53.18 -54.8 30.56 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.155 0.434 . . . . 0.0 110.805 175.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 69.2 mt -50.26 -57.89 2.06 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.162 0 C-N-CA 122.724 0.41 . . . . 0.0 109.899 179.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -60.25 -43.15 96.36 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.633 0.373 . . . . 0.0 111.489 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.9 m -55.34 -55.33 32.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.125 0.57 . . . . 0.0 109.553 176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.6 -52.81 63.42 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.877 0.471 . . . . 0.0 110.565 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.6 tp -49.08 -59.13 3.9 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 125.046 1.338 . . . . 0.0 110.242 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -35.63 75.42 Favored 'General case' 0 N--CA 1.453 -0.317 0 O-C-N 122.187 -0.321 . . . . 0.0 110.91 -176.421 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -57.02 -39.42 74.74 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.167 0.587 . . . . 0.0 110.788 175.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -71.68 -53.83 12.3 Favored 'General case' 0 CA--C 1.532 0.283 0 O-C-N 122.113 -0.367 . . . . 0.0 110.863 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 67.9 mtt -64.43 -62.32 1.67 Allowed 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -171.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -102.7 -25.02 13.69 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.688 0.795 . . . . 0.0 111.964 -171.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 55.96 -80.26 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 125.792 1.637 . . . . 0.0 113.999 178.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.6 mtmt 64.19 -57.92 0.22 Allowed 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 127.457 2.303 . . . . 0.0 112.581 -170.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.4 t -58.55 121.17 10.3 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.72 0.808 . . . . 0.0 109.478 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -72.69 68.92 0.87 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.355 0.662 . . . . 0.0 111.083 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? -76.82 45.67 0.43 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 121.55 -0.719 . . . . 0.0 109.978 169.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.2 pttt 177.12 146.45 0.28 Allowed Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 126.771 2.028 . . . . 0.0 107.633 -170.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -68.32 -31.86 27.51 Favored 'Trans proline' 0 N--CA 1.455 -0.778 0 C-N-CA 122.812 2.341 . . . . 0.0 110.855 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 124.547 1.139 . . . . 0.0 110.69 -179.057 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.48 -50.1 9.6 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.552 1.141 . . . . 0.0 111.366 -178.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -48.87 -54.56 14.81 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.527 1.131 . . . . 0.0 111.249 175.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 94.5 t -61.31 -47.22 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -178.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 94.9 mt -53.81 -54.53 37.13 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 119.71 -0.186 . . . . 0.0 110.639 178.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -62.71 -42.93 99.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.056 -0.497 . . . . 0.0 111.435 -178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -52.43 -58.61 6.19 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 118.641 0.655 . . . . 0.0 110.353 176.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.25 -39.05 93.49 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.138 -176.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.7 tp-100 -60.84 -43.82 97.79 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.734 -0.604 . . . . 0.0 111.223 175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.78 -47.69 83.85 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 108.747 -0.835 . . . . 0.0 108.747 176.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -60.6 -39.89 89.77 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.823 -0.548 . . . . 0.0 111.137 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.67 -50.76 72.12 Favored 'General case' 0 N--CA 1.454 -0.267 0 O-C-N 121.673 -0.642 . . . . 0.0 109.867 173.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -52.48 -46.16 66.46 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.234 0.614 . . . . 0.0 109.874 175.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -53.56 -53.53 50.29 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 119.411 -0.328 . . . . 0.0 110.641 176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.0 p -63.58 -40.3 88.52 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 118.634 -1.226 . . . . 0.0 110.892 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 57.3 mtmt -56.81 -50.39 72.5 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 119.93 1.241 . . . . 0.0 111.244 175.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.2 t -54.3 -52.05 42.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 O-C-N 121.756 -0.59 . . . . 0.0 110.186 177.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.1 mt -59.1 -44.56 91.96 Favored 'General case' 0 CA--C 1.531 0.224 0 O-C-N 121.912 -0.492 . . . . 0.0 111.479 178.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 tp -52.12 -54.39 31.15 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 125.343 1.457 . . . . 0.0 108.655 178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -57.78 -52.38 65.68 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.48 0.712 . . . . 0.0 110.965 178.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.68 -55.93 7.58 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -172.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 82.0 p -51.59 -46.93 63.68 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 -169.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 31.2 m 71.66 -55.03 0.67 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.502 1.521 . . . . 0.0 114.21 171.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 mmt180 -75.76 66.48 2.05 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.187 1.395 . . . . 0.0 112.183 -169.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp 73.5 -35.08 0.3 Allowed 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 126.251 1.82 . . . . 0.0 113.672 171.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -42.08 -31.03 0.32 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 128.309 2.643 . . . . 0.0 111.754 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 27' ' ' LEU . 10.5 mp -32.62 -56.41 0.35 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.076 1.751 . . . . 0.0 111.335 169.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -64.64 -48.64 74.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.254 0.549 . . . . 0.0 110.504 -171.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -56.26 -50.01 72.57 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 124.413 1.085 . . . . 0.0 109.501 178.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.7 m -62.0 -46.13 90.58 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.423 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.86 -60.02 4.35 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.917 0.887 . . . . 0.0 109.034 -179.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 21.7 p -55.75 -50.92 69.1 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 122.189 0.196 . . . . 0.0 110.763 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -61.13 2.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.612 0.365 . . . . 0.0 110.421 178.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -61.78 -41.53 97.82 Favored 'General case' 0 C--O 1.222 -0.353 0 O-C-N 121.95 -0.468 . . . . 0.0 110.691 -174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.66 -52.39 63.99 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 177.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 88.2 p -59.25 -47.37 85.61 Favored 'General case' 0 CA--C 1.535 0.393 0 O-C-N 122.181 -0.324 . . . . 0.0 111.005 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -52.98 -55.04 26.49 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.537 0.735 . . . . 0.0 110.839 175.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 60.0 mt -52.08 -52.66 22.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.148 0 C-N-CA 124.197 0.999 . . . . 0.0 110.012 179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -55.84 -51.21 68.28 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 117.747 0.249 . . . . 0.0 110.834 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -54.62 -49.7 69.85 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.44 0.696 . . . . 0.0 110.764 -178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -59.78 -53.45 57.84 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.475 0.71 . . . . 0.0 110.089 178.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.5 tp -50.94 -52.25 44.19 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.727 0.811 . . . . 0.0 110.899 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.9 mmpt? -57.21 -48.03 79.82 Favored 'General case' 0 CA--C 1.53 0.19 0 O-C-N 121.849 -0.532 . . . . 0.0 111.222 176.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -54.87 -51.32 66.3 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 121.731 -0.606 . . . . 0.0 110.067 177.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.1 mmtm -56.72 -44.39 81.57 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 122.793 0.437 . . . . 0.0 111.15 178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 59.3 mtt -59.22 -55.09 39.4 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 118.327 0.512 . . . . 0.0 111.544 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -121.11 84.6 2.26 Favored 'General case' 0 C--O 1.226 -0.159 0 C-N-CA 123.653 0.781 . . . . 0.0 110.269 -175.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -75.07 41.1 0.16 Allowed 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 125.219 1.408 . . . . 0.0 113.829 -169.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -47.33 -42.31 21.03 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 125.169 1.388 . . . . 0.0 110.433 177.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -11.51 0.39 Allowed 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 128.122 2.569 . . . . 0.0 115.005 179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -145.09 -51.37 0.27 Allowed 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.87 0.759 . . . . 0.0 110.388 177.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 22.7 tptp -75.11 81.71 2.28 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 170.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.68 112.48 1.47 Allowed Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 124.158 0.983 . . . . 0.0 109.391 169.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -48.1 -46.4 22.46 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 123.587 2.858 . . . . 0.0 114.901 -172.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.11 0.964 . . . . 0.0 111.216 -172.051 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 ttp . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.79 -39.47 65.47 Favored 'General case' 0 CA--C 1.531 0.239 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 171.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p -48.58 -64.27 0.85 Allowed 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 125.227 1.411 . . . . 0.0 110.33 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -50.43 -54.3 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.184 0 C-N-CA 124.245 1.018 . . . . 0.0 110.083 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -51.82 -50.94 59.86 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.506 0.322 . . . . 0.0 110.686 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.08 -43.42 98.87 Favored 'General case' 0 C--O 1.224 -0.275 0 CA-C-N 118.092 0.405 . . . . 0.0 110.652 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -56.96 -51.57 68.68 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-N 118.898 0.772 . . . . 0.0 110.548 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.15 -44.41 97.37 Favored 'General case' 0 CA--C 1.535 0.392 0 O-C-N 122.124 -0.36 . . . . 0.0 110.311 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -52.43 -52.25 54.94 Favored 'General case' 0 C--O 1.223 -0.314 0 C-N-CA 123.201 0.6 . . . . 0.0 109.777 174.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.3 tppp? -59.44 -46.42 88.8 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 123.834 0.854 . . . . 0.0 109.71 -177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -54.71 -44.86 73.83 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.378 0.609 . . . . 0.0 110.482 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tt -62.45 -43.85 97.82 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.733 1.213 . . . . 0.0 110.044 175.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -57.28 -43.07 82.78 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.861 1.265 . . . . 0.0 110.292 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -55.88 -53.54 55.48 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.166 0.439 . . . . 0.0 110.821 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.7 p -59.42 -41.32 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 118.278 -0.868 . . . . 0.0 111.186 177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -53.71 -58.22 7.99 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 119.561 1.073 . . . . 0.0 111.312 174.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.0 t -51.04 -53.16 15.41 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 C-N-CA 123.76 0.824 . . . . 0.0 110.52 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -62.6 -44.45 96.28 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-O 119.368 -0.349 . . . . 0.0 111.179 -177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 tt -54.72 -49.08 71.63 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.622 1.169 . . . . 0.0 110.143 175.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -61.49 -46.9 88.06 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.701 0.4 . . . . 0.0 110.871 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -79.64 -72.59 0.39 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 120.739 0.304 . . . . 0.0 111.76 -175.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.3 m -74.51 68.35 1.59 Allowed 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.751 1.221 . . . . 0.0 110.823 -172.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.59 38.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 127.131 2.172 . . . . 0.0 112.258 -175.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.0 mtm-85 -90.35 -175.67 4.56 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 125.667 1.587 . . . . 0.0 108.33 169.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -53.22 -25.2 13.2 Favored 'General case' 0 CA--C 1.537 0.466 0 O-C-N 121.603 -0.686 . . . . 0.0 111.511 169.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.9 tpt85 -30.35 -42.71 0.04 OUTLIER 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 127.81 2.444 . . . . 0.0 113.116 172.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 8.4 mp -44.65 -45.2 9.52 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 119.234 0.925 . . . . 0.0 112.328 178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -60.52 -52.21 66.17 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 121.298 0.571 . . . . 0.0 110.404 -179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.78 -48.02 82.7 Favored 'General case' 0 N--CA 1.458 -0.075 0 C-N-CA 123.914 0.885 . . . . 0.0 109.379 -179.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.5 m -56.56 -52.91 63.02 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.801 0.84 . . . . 0.0 109.023 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.67 -57.74 11.39 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.326 0.651 . . . . 0.0 109.863 -176.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.1 p -57.11 -50.48 72.67 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 120.813 0.339 . . . . 0.0 110.955 -177.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.3 t -54.19 -60.87 2.76 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.773 0.429 . . . . 0.0 110.177 176.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -63.0 -39.48 94.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 122.68 0.392 . . . . 0.0 110.987 -171.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.74 -50.63 60.22 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 172.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 10.9 m -58.5 -49.02 78.87 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.756 177.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -54.38 -48.5 71.47 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-N 118.415 0.552 . . . . 0.0 111.711 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 80.5 mt -55.34 -54.16 27.95 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 C-N-CA 123.812 0.845 . . . . 0.0 108.74 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -55.4 -46.29 76.6 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 117.077 -0.056 . . . . 0.0 111.055 177.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 58.8 m -56.89 -56.74 17.76 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.436 0.694 . . . . 0.0 109.972 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -53.22 -53.94 43.33 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.693 0.797 . . . . 0.0 110.213 179.008 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.2 tp -53.22 -61.03 2.56 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.547 0.739 . . . . 0.0 110.322 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt -65.32 -30.16 70.97 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 121.91 -0.494 . . . . 0.0 112.037 -174.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -64.66 -52.63 56.32 Favored 'General case' 0 C--O 1.225 -0.195 0 C-N-CA 123.681 0.793 . . . . 0.0 110.255 169.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -58.49 -34.87 71.39 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 118.446 0.567 . . . . 0.0 110.918 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 26.3 mmt -64.72 -66.07 0.59 Allowed 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 169.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -82.55 53.69 2.41 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.013 0.925 . . . . 0.0 110.585 -172.267 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -74.89 76.05 2.15 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.8 mtpt -51.65 134.71 29.76 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.522 0.729 . . . . 0.0 109.448 178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.8 m 58.53 46.6 14.65 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.646 0.778 . . . . 0.0 111.068 -173.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 72.77 -45.33 0.62 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 127.163 2.185 . . . . 0.0 113.353 172.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -122.6 -68.1 0.91 Allowed 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.287 1.035 . . . . 0.0 109.891 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -142.65 146.61 39.03 Favored Pre-proline 0 C--O 1.233 0.218 0 N-CA-C 107.91 -1.145 . . . . 0.0 107.91 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 86.7 Cg_endo -74.38 69.63 4.98 Favored 'Trans proline' 0 N--CA 1.452 -0.924 0 C-N-CA 123.654 2.903 . . . . 0.0 109.248 176.355 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 . . . . . 0 CA--C 1.53 0.202 0 C-N-CA 124.156 0.982 . . . . 0.0 109.891 -172.657 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.65 0.241 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -45.12 -48.58 12.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.833 1.253 . . . . 0.0 112.025 -175.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.88 -50.29 64.14 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.516 0.726 . . . . 0.0 111.486 176.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 64.4 t -63.91 -47.1 92.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 -177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 87.8 mt -54.3 -48.45 71.27 Favored 'General case' 0 CA--C 1.533 0.309 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -57.06 -49.76 74.85 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.705 0.802 . . . . 0.0 110.741 177.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -54.95 -51.1 67.2 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.19 0.596 . . . . 0.0 110.66 177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.58 -44.83 95.76 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 122.051 -0.406 . . . . 0.0 110.559 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.69 -47.32 80.15 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.218 0.607 . . . . 0.0 110.221 175.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.23 -50.57 70.91 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.587 0.755 . . . . 0.0 109.204 177.016 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.96 -47.31 74.69 Favored 'General case' 0 CA--C 1.533 0.298 0 O-C-N 121.97 -0.456 . . . . 0.0 111.019 176.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tt -52.28 -54.52 30.35 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 123.783 0.833 . . . . 0.0 110.033 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -52.34 -53.0 50.2 Favored 'General case' 0 C--O 1.226 -0.146 0 O-C-N 121.996 -0.44 . . . . 0.0 111.173 174.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -53.14 -52.99 56.94 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.045 0.538 . . . . 0.0 110.486 -176.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.4 p -61.46 -50.5 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 118.759 -0.638 . . . . 0.0 110.066 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -50.22 -54.6 19.91 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.63 0.772 . . . . 0.0 110.576 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 69.6 t -57.61 -45.08 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 C-N-CA 124.554 1.142 . . . . 0.0 109.907 178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.19 -46.32 75.86 Favored 'General case' 0 C--O 1.225 -0.224 0 CA-C-O 118.007 -0.997 . . . . 0.0 112.266 170.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 mt -55.75 -51.89 65.81 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 119.704 1.138 . . . . 0.0 109.008 -178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -53.7 -60.93 2.68 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.217 178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -60.51 -37.41 81.03 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.651 0.381 . . . . 0.0 111.853 -175.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.2 m -63.42 -55.48 23.95 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 123.643 0.777 . . . . 0.0 110.02 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m 70.18 -32.22 0.23 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.725 1.21 . . . . 0.0 113.828 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.7 mtm180 -44.11 150.17 0.3 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.488 1.515 . . . . 0.0 109.767 169.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.0 tptm -60.78 4.54 0.07 Allowed 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -174.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -66.19 -17.98 65.07 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.195 0.998 . . . . 0.0 111.671 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -43.05 -57.84 2.71 Favored 'General case' 0 C--N 1.343 0.294 0 C-N-CA 124.188 0.995 . . . . 0.0 111.78 -170.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.3 mtp-105 -61.59 -50.37 72.87 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.108 0.563 . . . . 0.0 111.261 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.39 -54.37 44.57 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.986 0.898 . . . . 0.0 109.963 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.7 m -58.99 -49.98 75.81 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.191 1.396 . . . . 0.0 109.686 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 65.0 tp -53.81 -61.13 2.5 Favored 'General case' 0 C--O 1.225 -0.223 0 C-N-CA 125.047 1.339 . . . . 0.0 110.081 178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 25.4 p -56.45 -48.98 75.93 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.418 0.287 . . . . 0.0 110.541 -176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.8 m -54.69 -57.83 9.92 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 122.4 0.28 . . . . 0.0 111.228 178.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -65.96 -41.29 91.42 Favored 'General case' 0 C--O 1.222 -0.348 0 O-C-N 122.24 -0.287 . . . . 0.0 110.494 -174.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -51.8 -51.48 56.12 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.444 0.698 . . . . 0.0 109.775 173.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.4 m -54.99 -50.67 68.39 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 119.788 -0.148 . . . . 0.0 110.748 177.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -54.42 -53.43 54.23 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 119.396 -0.335 . . . . 0.0 111.425 176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.25 -52.81 22.3 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 123.769 0.828 . . . . 0.0 109.757 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.59 -47.02 85.69 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 117.992 0.36 . . . . 0.0 111.182 178.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -54.85 -53.04 60.46 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.085 0.554 . . . . 0.0 110.259 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -57.39 -52.32 65.86 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.187 0.995 . . . . 0.0 110.215 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.2 tp -53.5 -52.81 58.38 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.908 0.883 . . . . 0.0 110.282 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.5 tmtp? -60.32 -56.43 21.56 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 178.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -43.52 -51.24 6.86 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.146 0.978 . . . . 0.0 111.894 176.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -59.01 -20.44 53.05 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 24.3 mmt -66.28 -36.42 82.92 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 119.863 1.211 . . . . 0.0 110.92 174.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.42 84.63 1.57 Allowed 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 106.596 -1.631 . . . . 0.0 106.596 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.03 105.2 0.2 Allowed 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -168.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -92.3 -35.36 13.8 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.729 1.211 . . . . 0.0 109.795 175.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 m -76.31 58.69 1.31 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 124.133 0.973 . . . . 0.0 110.418 -178.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -79.48 69.41 5.74 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.607 0.763 . . . . 0.0 109.64 -176.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -67.67 79.34 0.19 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 123.606 0.763 . . . . 0.0 110.363 176.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -51.16 140.66 22.07 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 170.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -65.99 92.53 0.26 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.366 2.711 . . . . 0.0 110.561 -174.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 124.578 1.151 . . . . 0.0 110.507 -177.377 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 tpp . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.28 -39.77 67.24 Favored 'General case' 0 CA--C 1.532 0.262 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 169.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 p -47.44 -66.68 0.37 Allowed 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 125.22 1.408 . . . . 0.0 110.144 169.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 88.4 t -48.42 -53.2 6.81 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.242 0 C-N-CA 124.472 1.109 . . . . 0.0 110.143 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 64.8 mt -55.03 -49.93 70.32 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.919 0.487 . . . . 0.0 110.851 -179.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -59.82 -43.86 94.3 Favored 'General case' 0 CA--C 1.534 0.333 0 O-C-N 122.165 -0.334 . . . . 0.0 111.46 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -57.59 -49.87 75.0 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.887 -0.508 . . . . 0.0 110.392 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.4 mt -59.76 -44.62 93.76 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 122.078 -0.388 . . . . 0.0 110.352 177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.6 tm0? -55.62 -51.46 67.09 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.769 0.428 . . . . 0.0 110.044 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -56.15 -47.58 77.92 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.273 0.629 . . . . 0.0 110.179 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -56.33 -46.92 79.71 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 177.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 tp -60.07 -46.57 89.13 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 121.956 -0.465 . . . . 0.0 110.3 177.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -53.41 -48.23 68.89 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.383 -0.823 . . . . 0.0 109.597 177.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -57.3 -43.88 83.6 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.466 174.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.8 -43.33 95.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-O 118.486 -0.769 . . . . 0.0 110.603 178.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -52.21 -52.04 54.64 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 119.121 0.873 . . . . 0.0 109.914 175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.6 t -54.54 -47.29 71.78 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 CA-C-N 116.713 -0.221 . . . . 0.0 110.524 177.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.1 mt -56.99 -45.32 83.05 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-O 118.093 -0.956 . . . . 0.0 111.705 174.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.0 mt -57.77 -49.9 75.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.825 1.193 . . . . 0.0 108.851 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -54.0 -58.42 7.37 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.291 0.637 . . . . 0.0 110.219 179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -62.53 -47.88 81.97 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.035 0.445 . . . . 0.0 111.622 -177.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.2 m -82.98 53.28 2.39 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 124.313 1.045 . . . . 0.0 110.206 -173.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.35 -23.01 67.14 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.013 0.925 . . . . 0.0 112.293 -170.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -76.48 75.67 3.21 Favored 'General case' 0 CA--C 1.533 0.305 0 O-C-N 121.313 -0.867 . . . . 0.0 110.353 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . 0.286 20.4 pttp 64.54 -34.96 0.17 Allowed 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 129.104 2.962 . . . . 0.0 116.446 173.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -36.44 -39.1 0.18 Allowed 'General case' 0 C--N 1.341 0.206 0 C-N-CA 126.487 1.915 . . . . 0.0 112.974 177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.554 ' H ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -35.74 -52.61 0.7 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.481 1.112 . . . . 0.0 111.673 176.427 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -57.0 -62.1 1.98 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 110.029 -177.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -51.51 -56.32 14.04 Favored 'General case' 0 C--O 1.232 0.16 0 C-N-CA 124.598 1.159 . . . . 0.0 109.816 -178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.3 m -55.28 -57.67 10.85 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.636 1.574 . . . . 0.0 109.977 -176.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.01 -53.34 57.09 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.245 0.618 . . . . 0.0 109.55 -178.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.7 m -62.49 -51.03 69.08 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.521 0.2 . . . . 0.0 110.734 -173.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.6 p -58.11 -53.91 52.93 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -57.95 -52.86 63.75 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -49.07 -48.3 44.29 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.654 0.782 . . . . 0.0 110.708 176.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.6 m -55.25 -53.78 51.75 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 117.831 0.287 . . . . 0.0 110.672 177.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -55.16 -53.71 52.5 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 122.514 0.326 . . . . 0.0 111.254 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 18.1 mm -49.59 -54.62 6.38 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 124.782 1.233 . . . . 0.0 110.03 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -59.78 -48.12 82.97 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.132 0.573 . . . . 0.0 110.799 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.0 m -54.38 -52.58 61.22 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.377 0.671 . . . . 0.0 110.697 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -59.89 -55.94 27.94 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.928 0.891 . . . . 0.0 110.009 179.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.9 tp -49.47 -50.44 41.17 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.215 1.006 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -54.8 -65.2 0.62 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 175.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -56.9 -37.12 70.97 Favored 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -169.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -65.91 -33.12 75.11 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 119.065 -0.493 . . . . 0.0 111.837 178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.7 mtm -90.73 -68.1 0.81 Allowed 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 122.044 0.926 . . . . 0.0 109.633 178.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -81.42 71.01 8.41 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 124.876 1.271 . . . . 0.0 107.699 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -54.96 146.2 18.35 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.211 -0.904 . . . . 0.0 109.952 177.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -81.76 55.15 2.62 Favored 'General case' 0 CA--C 1.534 0.355 0 O-C-N 121.758 -0.589 . . . . 0.0 109.941 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.7 t 157.08 -173.0 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 131.199 3.8 . . . . 0.0 105.197 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -54.95 14.64 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 172.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -88.51 178.71 6.46 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.891 0.476 . . . . 0.0 110.319 174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -54.85 135.34 65.91 Favored Pre-proline 0 CA--C 1.538 0.483 0 C-N-CA 123.838 0.855 . . . . 0.0 109.652 173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.92 65.53 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 123.218 2.612 . . . . 0.0 110.454 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 CA--C 1.531 0.239 0 O-C-N 121.568 -0.708 . . . . 0.0 109.735 -179.468 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptm . . . . . 0 CA--C 1.533 0.293 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.26 -52.15 7.73 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.779 1.231 . . . . 0.0 111.245 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -51.63 -41.67 61.46 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.939 0.895 . . . . 0.0 112.189 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.3 t -74.04 -40.16 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 97.0 mt -56.02 -45.96 78.96 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 118.9 0.773 . . . . 0.0 110.286 173.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -57.25 -48.94 77.59 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.319 0.648 . . . . 0.0 110.549 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -51.91 -50.9 60.18 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.572 0.749 . . . . 0.0 110.744 176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.6 mt -62.92 -42.95 99.96 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.497 0.719 . . . . 0.0 110.164 -179.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 12.4 tp-100 -59.04 -44.84 91.83 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 121.687 -0.633 . . . . 0.0 110.531 175.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -45.67 86.69 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 121.817 -0.552 . . . . 0.0 109.683 175.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -60.23 -44.21 95.39 Favored 'General case' 0 CA--C 1.536 0.428 0 O-C-N 121.76 -0.587 . . . . 0.0 110.821 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.0 tt -53.95 -52.88 59.23 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.338 1.055 . . . . 0.0 109.475 173.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -55.41 -44.83 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.901 -0.499 . . . . 0.0 110.73 176.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.61 -53.91 52.07 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 122.96 0.504 . . . . 0.0 110.24 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 HG22 ' A' ' 30' ' ' THR . 5.5 p -58.36 -46.75 89.14 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.367 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.313 176.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.9 ttmm -50.13 -51.86 39.86 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 119.655 1.116 . . . . 0.0 110.724 178.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 53.5 t -54.42 -46.9 70.7 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 123.261 0.625 . . . . 0.0 110.44 175.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.29 -41.32 93.14 Favored 'General case' 0 CA--C 1.534 0.35 0 O-C-N 121.591 -0.693 . . . . 0.0 112.14 175.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.7 mt -57.48 -46.07 84.12 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 119.452 1.023 . . . . 0.0 109.34 177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -59.84 -62.44 1.87 Allowed 'General case' 0 CA--C 1.537 0.465 0 O-C-N 122.25 -0.282 . . . . 0.0 110.534 176.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -67.26 -43.34 82.13 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 113.788 1.033 . . . . 0.0 113.788 -169.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.9 t -72.07 -51.24 22.54 Favored 'General case' 0 N--CA 1.456 -0.128 0 O-C-N 122.144 -0.348 . . . . 0.0 110.235 -171.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 66.05 -28.03 0.12 Allowed 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 116.585 2.068 . . . . 0.0 116.585 173.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.94 -175.76 0.33 Allowed 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 119.413 1.006 . . . . 0.0 110.906 176.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 ttpm? -47.53 -21.81 0.39 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.684 1.194 . . . . 0.0 112.871 171.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -45.71 -37.45 5.86 Favored 'General case' 0 C--N 1.343 0.321 0 C-N-CA 124.298 1.039 . . . . 0.0 111.111 175.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 mp -43.92 -48.66 8.54 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.635 0.774 . . . . 0.0 111.821 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 43.2 mtm180 -61.59 -55.96 25.12 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.258 0.552 . . . . 0.0 109.866 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -55.86 -55.74 28.89 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.48 1.112 . . . . 0.0 109.848 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.468 HG22 HG23 ' A' ' 15' ' ' VAL . 16.9 m -60.6 -49.0 79.3 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.741 1.216 . . . . 0.0 109.851 -175.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.3 tt -55.96 -55.76 28.9 Favored 'General case' 0 C--N 1.339 0.146 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.1 m -57.25 -53.29 59.73 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 120.676 0.274 . . . . 0.0 110.734 -175.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.6 p -59.22 -54.03 51.53 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 122.235 0.214 . . . . 0.0 110.746 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -62.81 -43.96 97.42 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.588 -176.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.8 tttm -53.59 -51.62 62.42 Favored 'General case' 0 CA--C 1.529 0.165 0 O-C-N 122.02 -0.425 . . . . 0.0 109.915 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 43.5 m -55.33 -52.63 62.87 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 119.637 -0.221 . . . . 0.0 110.698 179.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 10.4 mmmm -51.06 -58.44 6.07 Favored 'General case' 0 CA--C 1.528 0.115 0 C-N-CA 122.992 0.517 . . . . 0.0 110.965 175.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 77.5 mt -53.04 -54.16 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 C-N-CA 123.41 0.684 . . . . 0.0 109.947 -176.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -58.13 -46.22 85.99 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.472 0.309 . . . . 0.0 111.316 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -58.81 -51.62 69.23 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 123.134 0.573 . . . . 0.0 110.756 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -61.0 -49.46 77.36 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.937 0.895 . . . . 0.0 109.957 -178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 tp -53.03 -56.05 19.04 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.922 0.889 . . . . 0.0 110.61 174.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -61.1 -34.07 74.36 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 122.904 0.482 . . . . 0.0 111.318 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -60.96 -59.48 5.31 Favored 'General case' 0 N--CA 1.456 -0.126 0 O-C-N 121.331 -0.856 . . . . 0.0 109.065 170.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -54.38 -32.09 56.3 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 56.9 mtt -52.74 -48.06 66.99 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.759 0.652 . . . . 0.0 112.759 172.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -163.69 48.09 0.13 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 119.354 0.979 . . . . 0.0 113.449 -174.23 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.43 82.13 0.79 Allowed 'General case' 0 CA--C 1.529 0.136 0 O-C-N 120.691 -1.256 . . . . 0.0 110.265 177.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -64.37 77.86 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 169.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -78.83 67.17 4.49 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 125.809 1.644 . . . . 0.0 108.51 -171.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 tp60 68.91 -52.96 0.58 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.022 2.129 . . . . 0.0 111.208 -169.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -109.23 -175.48 2.77 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 125.121 1.369 . . . . 0.0 108.373 169.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -66.57 140.42 96.49 Favored Pre-proline 0 CA--C 1.536 0.417 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 170.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -75.8 65.6 6.74 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 C-N-CA 123.159 2.573 . . . . 0.0 110.279 -179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 N--CA 1.454 -0.24 0 O-C-N 121.689 -0.632 . . . . 0.0 109.66 179.66 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -54.79 -40.41 69.44 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.343 0.657 . . . . 0.0 110.301 170.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -48.96 -52.85 22.51 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 125.026 1.33 . . . . 0.0 110.701 170.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.5 t -68.99 -39.17 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.451 0 CA-C-O 119.119 -0.467 . . . . 0.0 110.279 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.6 mt -55.02 -48.09 73.84 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 120.002 1.274 . . . . 0.0 110.579 172.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -56.12 -51.05 69.34 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 123.038 0.535 . . . . 0.0 110.178 176.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -49.51 -56.97 7.97 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.751 0.82 . . . . 0.0 110.139 175.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 mt -58.34 -46.76 85.63 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.436 0.694 . . . . 0.0 109.994 -176.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -58.42 -49.35 77.59 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.028 0.376 . . . . 0.0 111.091 177.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -58.43 -43.99 88.95 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 121.994 -0.441 . . . . 0.0 110.142 177.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -59.66 -43.53 93.9 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 122.03 -0.419 . . . . 0.0 110.555 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.4 tt -54.45 -53.44 54.15 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.593 1.157 . . . . 0.0 109.234 174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -54.77 -45.88 74.31 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.148 0.579 . . . . 0.0 110.58 177.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -57.02 -52.94 63.26 Favored 'General case' 0 N--CA 1.453 -0.301 0 O-C-N 122.139 -0.351 . . . . 0.0 110.176 178.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.69 -41.79 86.43 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.355 0 C-N-CA 119.048 -1.061 . . . . 0.0 111.118 177.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.0 mmtt -53.83 -53.12 56.92 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 120.393 1.451 . . . . 0.0 110.953 175.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.7 t -51.5 -53.85 14.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 123.474 0.71 . . . . 0.0 110.244 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 95.9 mt -60.8 -41.6 95.97 Favored 'General case' 0 CA--C 1.534 0.329 0 O-C-N 121.956 -0.465 . . . . 0.0 111.752 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tp -58.21 -47.46 83.41 Favored 'General case' 0 CA--C 1.528 0.112 0 C-N-CA 125.729 1.612 . . . . 0.0 109.402 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -60.77 -49.39 77.7 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 122.526 0.33 . . . . 0.0 110.481 176.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 51.0 mttp -78.71 -64.1 1.25 Allowed 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 -169.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.3 m -79.66 61.91 3.78 Favored 'General case' 0 CA--C 1.528 0.107 0 O-C-N 121.422 -0.799 . . . . 0.0 113.118 -169.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.8 p -47.51 -19.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.018 2.527 . . . . 0.0 115.12 177.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -73.47 65.53 0.92 Allowed 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 125.392 1.477 . . . . 0.0 111.644 -173.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 71.09 -44.21 0.58 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 127.219 2.208 . . . . 0.0 113.497 176.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -31.85 -40.28 0.04 OUTLIER 'General case' 0 C--N 1.339 0.131 0 C-N-CA 127.532 2.333 . . . . 0.0 113.998 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.6 mp -33.91 -56.03 0.47 Allowed 'General case' 0 C--O 1.227 -0.126 0 C-N-CA 124.936 1.294 . . . . 0.0 111.667 171.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 tpm_? -57.69 -62.47 1.77 Allowed 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.626 0.77 . . . . 0.0 109.882 -176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -52.19 -54.5 30.12 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 124.229 1.012 . . . . 0.0 110.499 -177.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.0 m -58.59 -50.93 72.01 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 125.244 1.418 . . . . 0.0 109.801 -176.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.06 -53.37 59.04 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.0 m -51.8 -55.12 21.77 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 120.927 0.394 . . . . 0.0 110.497 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.3 m -58.77 -55.81 30.36 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.673 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -63.27 -46.02 88.76 Favored 'General case' 0 N--CA 1.451 -0.387 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 -174.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -53.07 -51.35 62.1 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 175.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 47.6 m -55.4 -53.59 54.28 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 119.504 -0.284 . . . . 0.0 110.919 179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 6.3 mptp? -54.29 -55.71 25.65 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 118.129 0.422 . . . . 0.0 111.135 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 72.8 mt -51.48 -55.09 9.49 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.195 0 C-N-CA 123.926 0.89 . . . . 0.0 109.959 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -58.04 -49.22 77.64 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 122.848 0.459 . . . . 0.0 110.81 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.0 m -53.42 -55.16 27.38 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.43 0.692 . . . . 0.0 110.149 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -56.78 -56.69 18.3 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.697 0.799 . . . . 0.0 110.709 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.5 tp -49.52 -53.48 23.19 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.759 1.224 . . . . 0.0 110.849 -178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -61.19 -55.2 34.97 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -49.64 -49.35 47.49 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 125.527 1.531 . . . . 0.0 112.36 -173.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.3 pttt -62.7 -28.67 70.1 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 119.934 -0.706 . . . . 0.0 112.158 -178.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 73.8 mtm -80.2 -67.22 0.79 Allowed 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 175.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.75 122.84 44.52 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 176.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -74.14 73.37 1.74 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.691 1.197 . . . . 0.0 111.311 -168.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt 68.01 -65.14 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 127.165 2.186 . . . . 0.0 110.064 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.3 m -68.55 144.77 54.46 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -65.45 134.24 53.02 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -67.84 165.13 18.16 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 169.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -60.95 162.13 13.51 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 118.702 -0.666 . . . . 0.0 109.9 170.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -62.63 66.44 0.13 Allowed 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 124.165 3.243 . . . . 0.0 112.913 170.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 . . . . . 0 N--CA 1.452 -0.351 0 O-C-N 120.944 -1.098 . . . . 0.0 109.901 -173.36 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -56.74 -39.94 74.88 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 169.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 p -46.51 -60.35 2.41 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.952 1.301 . . . . 0.0 110.709 169.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 24.6 t -55.46 -54.47 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 124.915 1.286 . . . . 0.0 109.842 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.9 mt -52.41 -55.41 21.94 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -59.65 -50.07 75.27 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.989 -176.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -60.8 -46.85 88.9 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.275 0.943 . . . . 0.0 110.636 -177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.9 mt -63.93 -43.61 95.37 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.4 tm0? -57.74 -53.12 61.79 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.092 0.406 . . . . 0.0 110.262 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -55.77 -48.77 74.74 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.436 0.694 . . . . 0.0 109.913 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -54.03 -52.83 59.58 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 122.233 0.213 . . . . 0.0 110.61 177.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.1 tt -53.63 -52.27 60.41 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.793 0.837 . . . . 0.0 109.871 177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -50.91 -50.04 58.27 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.878 1.271 . . . . 0.0 109.889 177.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -56.38 -57.73 11.03 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.189 0.595 . . . . 0.0 110.319 -179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.7 p -59.35 -42.62 87.97 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.241 0 C-N-CA 119.604 -0.838 . . . . 0.0 111.089 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -56.39 -52.9 62.88 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 118.808 0.731 . . . . 0.0 110.269 178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.6 t -55.29 -52.48 45.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.281 0 C-N-CA 123.652 0.781 . . . . 0.0 110.589 178.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.3 mt -62.65 -40.63 97.64 Favored 'General case' 0 CA--C 1.531 0.237 0 O-C-N 121.766 -0.584 . . . . 0.0 111.648 -179.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.5 tt -56.28 -50.38 71.55 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.68 0.792 . . . . 0.0 109.671 175.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -59.7 -54.64 44.04 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 122.32 0.248 . . . . 0.0 110.902 177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.31 -68.21 0.55 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.921 0.489 . . . . 0.0 111.842 -172.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.7 p -83.54 58.05 4.36 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.537 -0.727 . . . . 0.0 109.692 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 t -75.13 52.12 0.56 Allowed 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.338 1.455 . . . . 0.0 113.264 -171.027 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -90.22 175.79 7.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 125.163 1.385 . . . . 0.0 109.214 170.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -48.58 -30.0 4.88 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 123.691 0.797 . . . . 0.0 111.837 173.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.4 ptt180 -55.28 -21.52 14.87 Favored 'General case' 0 C--N 1.343 0.32 0 CA-C-O 117.786 -1.102 . . . . 0.0 112.41 -177.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -44.62 -41.8 6.91 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-N 119.735 1.152 . . . . 0.0 111.9 174.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.77 -60.62 3.41 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-O 121.811 0.815 . . . . 0.0 110.064 177.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -53.2 -53.86 44.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 125.135 1.374 . . . . 0.0 110.482 -178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 50.9 m -55.34 -53.05 60.98 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 127.09 2.156 . . . . 0.0 109.861 -178.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.9 tt -58.9 -53.57 56.88 Favored 'General case' 0 N--CA 1.457 -0.124 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 m -53.83 -50.88 65.22 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.333 0.587 . . . . 0.0 110.988 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.2 m -58.63 -50.42 73.89 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.917 0.487 . . . . 0.0 110.397 -179.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -42.57 89.82 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.571 -176.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -52.08 -47.91 64.95 Favored 'General case' 0 CA--C 1.533 0.303 0 O-C-N 121.566 -0.709 . . . . 0.0 109.586 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 15.4 m -55.5 -49.71 71.85 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.712 175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 mmmm -53.97 -52.11 61.74 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.523 0.601 . . . . 0.0 112.04 175.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 92.8 mt -51.08 -57.26 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -58.24 -46.95 85.01 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 123.146 0.279 . . . . 0.0 110.827 -177.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -54.21 -56.75 15.28 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.358 0.663 . . . . 0.0 110.287 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -59.32 -52.21 66.62 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.439 0.695 . . . . 0.0 110.61 -178.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.6 tp -54.07 -54.61 36.99 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.669 0.788 . . . . 0.0 110.36 179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.2 tmtt? -56.05 -47.82 77.16 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 123.13 0.572 . . . . 0.0 110.445 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.3 t-20 -54.6 -54.35 42.54 Favored 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 123.779 0.831 . . . . 0.0 110.452 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -66.11 -31.61 72.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 123.091 0.556 . . . . 0.0 112.21 -174.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.6 mtm -73.14 -62.81 1.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 119.1 0.864 . . . . 0.0 109.525 171.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -82.62 67.94 8.87 Favored 'General case' 0 C--O 1.235 0.304 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -72.69 71.29 0.99 Allowed 'General case' 0 CA--C 1.531 0.245 0 CA-C-O 122.827 1.299 . . . . 0.0 110.006 172.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -147.93 -54.47 0.21 Allowed 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 129.801 3.24 . . . . 0.0 103.693 169.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.3 p -72.25 68.91 0.76 Allowed 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 124.679 1.192 . . . . 0.0 108.918 169.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -60.99 -15.16 28.48 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.159 0.983 . . . . 0.0 113.588 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp 60.68 29.58 19.11 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.937 1.295 . . . . 0.0 110.464 -171.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -69.61 131.38 89.78 Favored Pre-proline 0 N--CA 1.45 -0.425 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 176.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.94 148.3 63.58 Favored 'Trans proline' 0 N--CA 1.451 -0.971 0 C-N-CA 122.081 1.854 . . . . 0.0 109.987 174.516 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 41.8 mp0 . . . . . 0 CA--C 1.532 0.257 0 C-N-CA 123.329 0.652 . . . . 0.0 109.69 -179.053 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.7 mmm . . . . . 0 N--CA 1.454 -0.228 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.05 -53.21 6.51 Favored 'General case' 0 CA--C 1.528 0.127 0 C-N-CA 124.925 1.29 . . . . 0.0 111.407 -177.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.5 m -52.66 -40.63 63.04 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.736 0.814 . . . . 0.0 112.198 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.5 t -73.71 -41.51 54.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -56.7 -47.86 78.96 Favored 'General case' 0 CA--C 1.535 0.375 0 O-C-N 121.897 -0.502 . . . . 0.0 110.071 173.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -56.42 -48.04 77.79 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.493 0.717 . . . . 0.0 110.515 174.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -54.48 -52.49 61.74 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 122.994 0.517 . . . . 0.0 110.675 177.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 mt -57.0 -46.63 82.15 Favored 'General case' 0 CA--C 1.532 0.255 0 O-C-N 121.998 -0.438 . . . . 0.0 110.304 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 tp60 -58.06 -42.56 85.75 Favored 'General case' 0 CA--C 1.534 0.332 0 O-C-N 122.04 -0.413 . . . . 0.0 111.231 177.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -63.32 -47.06 83.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -56.01 -49.25 74.18 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.107 0.412 . . . . 0.0 110.453 176.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tt -51.46 -52.64 44.72 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.65 1.18 . . . . 0.0 109.792 175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -55.25 -49.8 71.11 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.112 0.565 . . . . 0.0 110.77 177.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.66 -53.11 60.55 Favored 'General case' 0 C--O 1.234 0.265 0 C-N-CA 123.016 0.527 . . . . 0.0 109.848 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.6 -36.11 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.913 -178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -57.32 -48.33 79.23 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 119.242 0.928 . . . . 0.0 110.115 173.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 49.1 t -55.92 -46.19 80.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 O-C-N 121.884 -0.51 . . . . 0.0 110.188 176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.0 mt -57.82 -49.61 76.06 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.756 0.707 . . . . 0.0 111.785 174.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tp -48.11 -52.31 20.96 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 125.445 1.498 . . . . 0.0 109.31 177.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.97 -60.72 3.34 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 122.96 0.504 . . . . 0.0 110.943 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -65.08 -56.45 12.93 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 121.445 0.64 . . . . 0.0 111.456 -170.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.4 m -88.04 60.89 6.04 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 -170.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -74.85 40.58 0.14 Allowed 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 125.393 1.477 . . . . 0.0 113.841 -169.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 22.1 mmt85 -90.18 -170.32 2.72 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 123.957 0.903 . . . . 0.0 109.64 177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -48.54 -31.74 6.95 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.854 0.862 . . . . 0.0 111.843 176.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -58.07 -14.87 7.53 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 114.683 1.364 . . . . 0.0 114.683 -171.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.8 mt -47.42 -61.39 1.94 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.816 1.189 . . . . 0.0 112.097 -173.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 mtm-85 -61.39 -44.31 97.37 Favored 'General case' 0 C--O 1.232 0.137 0 O-C-N 122.228 -0.295 . . . . 0.0 110.768 -176.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -55.31 -56.14 23.41 Favored 'General case' 0 CA--C 1.53 0.184 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 99.2 m -52.07 -55.58 19.82 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 126.023 1.729 . . . . 0.0 110.038 178.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 67.7 tp -54.47 -58.03 9.05 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.81 0.844 . . . . 0.0 110.066 -177.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.4 m -57.27 -50.78 71.81 Favored 'General case' 0 C--O 1.235 0.299 0 C-N-CA 123.052 0.541 . . . . 0.0 110.071 -177.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 56.6 m -52.96 -59.83 4.04 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.151 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.83 -42.08 77.68 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 119.69 -0.804 . . . . 0.0 111.111 -173.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -51.37 -46.79 62.88 Favored 'General case' 0 C--N 1.34 0.172 0 C-N-CA 122.776 0.43 . . . . 0.0 110.557 177.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 77.9 p -55.51 -51.33 67.37 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.581 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -59.67 -49.74 76.56 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 123.277 0.631 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 82.1 mt -52.14 -56.41 6.52 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -59.36 -45.96 89.95 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.029 0.532 . . . . 0.0 111.402 -178.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 99.6 m -53.0 -56.36 16.62 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -65.5 -45.37 83.85 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-O 119.441 -0.314 . . . . 0.0 111.638 -177.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 tp -46.66 -58.05 4.22 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.992 0.917 . . . . 0.0 109.856 175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -64.68 -46.8 80.86 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.729 -0.214 . . . . 0.0 110.952 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -51.58 -42.03 61.61 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.357 0.663 . . . . 0.0 111.039 178.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.7 mmtm -74.45 -52.8 10.98 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 121.786 -0.571 . . . . 0.0 111.246 -177.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.7 ptp -79.29 -36.41 39.73 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 119.152 0.887 . . . . 0.0 113.225 -173.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -109.59 -45.35 3.7 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 125.207 1.403 . . . . 0.0 110.547 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 69.61 -71.29 0.13 Allowed 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.691 1.596 . . . . 0.0 112.408 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -32.94 -55.09 0.38 Allowed 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 127.942 2.497 . . . . 0.0 112.604 -169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -143.51 138.71 29.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 170.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.8 mp0 -83.35 62.58 6.8 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -176.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 62.1 mtpt -72.81 79.61 1.14 Allowed 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.466 0.706 . . . . 0.0 110.024 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -52.35 138.63 38.38 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 118.534 -0.746 . . . . 0.0 109.755 171.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -49.1 -41.92 40.02 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 123.268 2.645 . . . . 0.0 112.54 173.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 . . . . . 0 N--CA 1.452 -0.329 0 C-N-CA 123.6 0.76 . . . . 0.0 110.11 178.232 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtm . . . . . 0 CA--C 1.536 0.404 0 N-CA-C 111.664 0.246 . . . . 0.0 111.664 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.07 5.99 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.731 1.212 . . . . 0.0 111.4 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -51.96 -41.38 62.04 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.998 0.919 . . . . 0.0 112.322 177.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.65 -44.05 76.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.0 mt -56.2 -47.93 77.39 Favored 'General case' 0 CA--C 1.534 0.347 0 O-C-N 121.875 -0.515 . . . . 0.0 110.275 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -55.33 -49.67 71.62 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.488 0.715 . . . . 0.0 110.363 174.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -54.8 -50.63 68.05 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.266 0.627 . . . . 0.0 111.145 178.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.09 -46.54 88.02 Favored 'General case' 0 CA--C 1.531 0.219 0 O-C-N 121.719 -0.613 . . . . 0.0 110.491 177.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.31 -44.51 79.99 Favored 'General case' 0 CA--C 1.529 0.168 0 O-C-N 122.16 -0.337 . . . . 0.0 110.284 176.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -60.83 -47.42 86.43 Favored 'General case' 0 N--CA 1.45 -0.464 0 O-C-N 122.029 -0.42 . . . . 0.0 110.298 177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -55.21 -47.26 75.56 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 118.334 0.515 . . . . 0.0 109.875 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.3 tt -50.14 -46.61 54.04 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 123.628 0.771 . . . . 0.0 110.059 171.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -60.52 -44.01 96.49 Favored 'General case' 0 CA--C 1.534 0.348 0 O-C-N 121.656 -0.652 . . . . 0.0 110.129 179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.31 -54.75 43.29 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 119.216 -0.421 . . . . 0.0 110.856 176.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -58.74 -40.69 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 119.225 -0.99 . . . . 0.0 111.323 177.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -56.24 -52.51 64.18 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 119.298 0.953 . . . . 0.0 110.539 176.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 43.8 t -54.06 -51.35 47.22 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 C-N-CA 122.963 0.505 . . . . 0.0 110.173 177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 32.3 mt -57.39 -40.5 78.36 Favored 'General case' 0 CA--C 1.527 0.074 0 CA-C-O 118.901 -0.571 . . . . 0.0 111.445 176.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.9 tp -55.11 -50.8 68.29 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.698 0.799 . . . . 0.0 108.948 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -64.13 -51.27 64.75 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 178.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -72.48 -54.51 9.07 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -169.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.0 m -49.03 -47.31 44.76 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.159 0.984 . . . . 0.0 113.166 -169.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.8 m 68.42 -52.17 0.55 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.699 1.6 . . . . 0.0 114.341 177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -53.18 147.07 10.49 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -60.91 15.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 116.944 2.202 . . . . 0.0 116.944 -169.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -63.22 -19.41 64.5 Favored 'General case' 0 CA--C 1.531 0.247 0 O-C-N 120.841 -1.162 . . . . 0.0 109.999 169.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.2 mp -37.41 -62.53 0.51 Allowed 'General case' 0 C--N 1.343 0.286 0 C-N-CA 125.648 1.579 . . . . 0.0 110.988 172.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.6 tpt85 -60.61 -50.85 71.88 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 121.322 0.582 . . . . 0.0 109.953 -170.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.48 -56.1 26.22 Favored 'General case' 0 C--O 1.234 0.262 0 C-N-CA 124.049 0.939 . . . . 0.0 110.637 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 63.1 m -57.63 -48.28 79.89 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.821 1.248 . . . . 0.0 109.629 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -54.0 -59.79 4.18 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 108.773 -0.825 . . . . 0.0 108.773 177.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.0 m -53.86 -56.91 13.33 Favored 'General case' 0 CA--C 1.528 0.116 0 CA-C-N 117.944 0.338 . . . . 0.0 110.946 -176.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 25.5 p -58.26 -58.3 9.11 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.581 -0.281 . . . . 0.0 110.62 -174.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -65.8 -40.03 91.51 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-O 119.6 -0.238 . . . . 0.0 110.844 -173.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -55.77 -51.39 67.56 Favored 'General case' 0 CA--C 1.529 0.159 0 CA-C-N 118.534 0.606 . . . . 0.0 109.944 173.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 49.0 m -55.0 -51.51 66.03 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 110.455 -0.202 . . . . 0.0 110.455 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -52.4 -56.25 16.26 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.73 0.412 . . . . 0.0 111.204 175.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 73.0 mt -51.99 -54.3 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 C-N-CA 123.154 0.582 . . . . 0.0 110.26 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -58.38 -49.18 78.15 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 122.602 0.361 . . . . 0.0 110.733 -178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.9 m -54.2 -53.59 51.47 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.413 0.685 . . . . 0.0 110.438 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -58.02 -49.06 78.16 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.459 0.704 . . . . 0.0 110.57 179.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 47.7 tp -54.77 -54.12 46.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.272 0.629 . . . . 0.0 110.197 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -61.96 -39.59 92.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 O-C-N 122.055 -0.403 . . . . 0.0 111.048 179.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -56.92 -46.7 81.84 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 118.764 0.711 . . . . 0.0 110.484 175.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -61.11 -42.88 99.34 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.802 -0.561 . . . . 0.0 110.872 176.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.9 mtt -62.81 -52.05 64.68 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -142.38 10.4 1.88 Allowed 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 115.147 1.536 . . . . 0.0 115.147 -169.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 54.88 -87.04 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.999 1.319 . . . . 0.0 110.936 -172.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.1 tmtm? -159.88 97.19 1.28 Allowed 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 174.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 p -76.51 67.15 2.64 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 123.433 0.693 . . . . 0.0 111.545 -175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.311 0.0 OUTLIER 34.19 -68.47 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 130.431 3.492 . . . . 0.0 117.183 174.157 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 25.8 ttpp -74.9 -40.19 61.04 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.544 0.738 . . . . 0.0 109.83 179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -79.32 140.87 56.75 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -172.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -75.11 67.06 6.09 Favored 'Trans proline' 0 N--CA 1.454 -0.801 0 C-N-CA 123.388 2.725 . . . . 0.0 110.294 178.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 . . . . . 0 CA--C 1.533 0.31 0 C-N-CA 123.965 0.906 . . . . 0.0 110.444 178.669 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.7 ttp . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -53.27 -38.59 63.2 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 122.776 0.43 . . . . 0.0 109.929 170.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 p -50.4 -60.58 2.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.237 1.415 . . . . 0.0 110.525 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.7 t -55.18 -50.45 64.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 C-N-CA 123.466 0.706 . . . . 0.0 110.108 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -54.68 -48.79 71.97 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 122.831 0.453 . . . . 0.0 110.588 177.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -55.66 -49.45 72.89 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.321 0.649 . . . . 0.0 110.362 177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -59.61 -46.03 90.17 Favored 'General case' 0 CA--C 1.533 0.322 0 O-C-N 121.966 -0.459 . . . . 0.0 111.475 179.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 57.9 mt -59.24 -47.66 84.52 Favored 'General case' 0 CA--C 1.535 0.39 0 O-C-N 121.58 -0.7 . . . . 0.0 110.245 176.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -57.21 -39.15 74.86 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 122.906 0.483 . . . . 0.0 110.678 175.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 38.9 ttpt -67.17 -39.73 86.51 Favored 'General case' 0 N--CA 1.45 -0.45 0 O-C-N 121.561 -0.712 . . . . 0.0 110.497 178.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -59.19 -43.56 92.19 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 118.686 0.675 . . . . 0.0 109.474 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.25 -49.43 64.04 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.278 0.631 . . . . 0.0 110.332 170.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.23 -43.61 92.36 Favored 'General case' 0 N--CA 1.454 -0.257 0 O-C-N 121.75 -0.593 . . . . 0.0 110.204 178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.61 -54.94 41.41 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.862 0.865 . . . . 0.0 109.862 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -57.21 -47.72 83.59 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.852 -0.739 . . . . 0.0 110.128 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -53.51 -53.61 49.06 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.831 0.742 . . . . 0.0 111.331 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.8 t -54.5 -51.17 52.4 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.293 0 C-N-CA 124.673 1.189 . . . . 0.0 110.396 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 mt -63.2 -42.98 99.38 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-O 119.052 -0.499 . . . . 0.0 111.3 179.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.7 tp -51.26 -58.07 7.16 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.546 1.138 . . . . 0.0 108.951 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.77 -51.5 58.61 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 122.002 -0.436 . . . . 0.0 111.505 -177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.83 -61.23 2.3 Favored 'General case' 0 C--N 1.339 0.139 0 CA-C-N 118.348 0.522 . . . . 0.0 111.018 -175.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.4 m -81.1 66.52 6.66 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.43 28.76 0.07 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.482 1.113 . . . . 0.0 112.904 -179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -90.26 -170.21 2.68 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 127.069 2.147 . . . . 0.0 108.272 174.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -49.77 -28.39 6.17 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.495 -0.753 . . . . 0.0 111.434 169.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 20.9 mmm-85 -37.73 -38.68 0.29 Allowed 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 126.161 1.784 . . . . 0.0 112.088 169.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.5 mt -43.01 -56.74 3.18 Favored 'General case' 0 C--O 1.226 -0.144 0 C-N-CA 123.725 0.81 . . . . 0.0 111.137 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -64.48 -47.73 77.88 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 -173.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -56.1 -58.99 5.58 Favored 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.473 0.483 . . . . 0.0 110.155 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.4 p -58.84 -52.22 66.65 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 118.741 -0.647 . . . . 0.0 110.387 -177.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -49.23 -63.18 1.18 Allowed 'General case' 0 N--CA 1.452 -0.358 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 177.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.9 m -59.6 -61.61 2.5 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-N 118.031 0.378 . . . . 0.0 111.023 -174.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.4 m -65.27 -49.97 67.52 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.92 -0.487 . . . . 0.0 111.48 -172.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.53 -40.91 76.6 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.132 0.424 . . . . 0.0 109.87 -174.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 27.0 ttpp -58.01 -46.96 84.43 Favored 'General case' 0 C--N 1.342 0.264 0 O-C-N 121.545 -0.722 . . . . 0.0 109.728 172.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.8 t -53.98 -51.13 64.89 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 119.385 -0.341 . . . . 0.0 110.714 177.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -53.08 -55.3 24.9 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 118.41 0.55 . . . . 0.0 111.127 174.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 70.3 mt -52.27 -54.93 12.31 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 122.927 0.491 . . . . 0.0 110.209 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -57.07 -49.23 76.49 Favored 'General case' 0 C--O 1.226 -0.18 0 C-N-CA 123.445 0.698 . . . . 0.0 110.642 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -56.26 -52.17 65.44 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.3 0.64 . . . . 0.0 110.308 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 67.9 mt-10 -56.24 -55.72 29.84 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.454 0.701 . . . . 0.0 110.245 178.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 tp -51.88 -53.48 40.26 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.713 0.805 . . . . 0.0 110.634 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.2 mmmm -64.4 -37.02 86.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.077 0.551 . . . . 0.0 111.985 -178.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -60.45 -51.18 70.55 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 119.323 0.965 . . . . 0.0 109.416 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -59.1 -39.16 81.36 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.342 0.657 . . . . 0.0 111.427 -178.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.3 mtt -66.56 -60.23 2.92 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 118.169 0.44 . . . . 0.0 111.418 174.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -67.97 -49.38 62.06 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.093 0.557 . . . . 0.0 112.323 -169.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 48.74 -136.67 1.02 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.911 0.884 . . . . 0.0 110.385 -174.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -73.04 77.83 1.21 Allowed 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.498 -0.751 . . . . 0.0 109.364 174.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.0 m 47.1 58.86 4.43 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.885 1.274 . . . . 0.0 111.782 171.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . 0.272 1.0 OUTLIER 37.09 39.1 0.12 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 127.239 2.216 . . . . 0.0 114.222 -173.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 70.96 -68.92 0.2 Allowed 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 125.774 1.63 . . . . 0.0 110.196 178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.7 123.85 80.17 Favored Pre-proline 0 CA--C 1.539 0.555 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 170.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -75.03 63.4 6.02 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 123.388 2.725 . . . . 0.0 113.762 -169.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 107.628 -1.249 . . . . 0.0 107.628 169.244 . . . . . . . . 0 0 . 1 stop_ save_