data_1ftt_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 1ftt _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.46 0.648 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mp . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm . . . . . 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.714 0.292 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? . . . . . 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.765 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -151.58 169.32 22.41 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.269 1.028 . . . . 0.0 108.547 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 59.2 36.31 23.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.109 1.364 . . . . 0.0 110.704 -165.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -145.8 161.05 40.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.387 1.875 . . . . 0.0 107.648 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 ttm105 -80.14 69.61 6.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.302 0.641 . . . . 0.0 109.665 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -145.1 63.66 1.28 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.246 1.818 . . . . 0.0 107.241 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.49 -71.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 123.982 0.913 . . . . 0.0 108.684 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.09 120.31 33.24 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.263 1.025 . . . . 0.0 108.264 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 60.73 175.65 0.1 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.363 1.865 . . . . 0.0 113.561 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -165.06 174.84 9.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.526 1.531 . . . . 0.0 108.392 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -67.13 -47.87 69.81 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.87 -65.26 0.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.181 1.392 . . . . 0.0 111.037 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -114.42 119.37 36.68 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.078 2.151 . . . . 0.0 107.174 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -50.71 -56.86 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.842 0.857 . . . . 0.0 112.04 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -138.38 141.92 39.63 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.997 1.319 . . . . 0.0 109.043 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.93 142.75 38.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.98 -55.47 16.61 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.14 -37.71 72.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.907 1.283 . . . . 0.0 112.081 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.4 113.76 2.12 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 67.53 67.48 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.58 1.552 . . . . 0.0 110.682 -168.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.252 19.7 ptpt 57.51 149.51 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 129.739 3.216 . . . . 0.0 115.308 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.27 73.51 1.3 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.387 1.475 . . . . 0.0 110.646 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -76.78 68.48 3.01 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.37 1.468 . . . . 0.0 110.947 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.4 -114.19 0.08 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.429 1.492 . . . . 0.0 107.991 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.43 63.81 5.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -106.31 90.05 3.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.359 1.464 . . . . 0.0 108.367 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.602 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.027 -0.035 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -81.45 63.31 5.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.12 0.968 . . . . 0.0 109.6 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.5 90.15 0.71 Allowed 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.12 157.4 13.45 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.675 0.79 . . . . 0.0 110.447 175.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -138.25 -71.97 0.41 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 171.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -97.31 136.68 37.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 167.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.77 -72.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.824 0.85 . . . . 0.0 109.103 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.71 50.87 0.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.709 1.204 . . . . 0.0 108.742 165.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -139.99 160.86 38.96 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.06 0.944 . . . . 0.0 111.43 -169.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p -92.81 176.24 6.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.024 1.33 . . . . 0.0 110.06 172.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -45.78 60.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -87.44 -72.13 0.53 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.153 1.381 . . . . 0.0 110.253 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -110.24 125.78 53.45 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.275 1.43 . . . . 0.0 108.828 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -81.21 23.3 0.6 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.72 0.808 . . . . 0.0 112.535 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -165.96 169.74 14.41 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.303 2.241 . . . . 0.0 107.356 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp -111.72 140.0 46.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 151.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.64 -48.49 72.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -57.45 -43.44 83.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.157 0.983 . . . . 0.0 110.117 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.21 93.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.726 1.61 . . . . 0.0 110.186 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.29 98.04 7.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.617 1.167 . . . . 0.0 108.847 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 60.34 -82.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.387 1.875 . . . . 0.0 112.207 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -112.87 47.8 1.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.91 2.084 . . . . 0.0 107.529 -175.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm 75.25 -63.68 0.4 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.25 2.22 . . . . 0.0 110.783 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.95 48.02 1.96 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.383 1.073 . . . . 0.0 111.104 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.79 -47.86 0.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 126.956 2.103 . . . . 0.0 111.641 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -138.97 179.01 6.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.071 2.148 . . . . 0.0 106.727 169.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.474 1.51 . . . . 0.0 110.399 -178.412 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -140.65 163.64 32.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.182 1.393 . . . . 0.0 108.526 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -157.87 164.01 37.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.285 1.034 . . . . 0.0 108.408 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -50.34 -43.12 53.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 112.995 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 160.69 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.977 2.911 . . . . 0.0 106.938 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -147.17 136.7 22.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.549 1.14 . . . . 0.0 108.261 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.42 -68.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 169.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -155.77 171.6 19.74 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.78 1.632 . . . . 0.0 107.437 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -52.52 135.6 33.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.059 0.544 . . . . 0.0 109.646 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -102.07 168.85 9.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.291 1.036 . . . . 0.0 110.302 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -47.48 -47.78 27.27 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -86.94 -66.33 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.898 1.279 . . . . 0.0 110.669 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -103.07 105.39 15.7 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.784 1.234 . . . . 0.0 110.16 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -70.15 -16.3 63.07 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.538 0.735 . . . . 0.0 111.33 174.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -151.8 141.48 21.82 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.919 1.288 . . . . 0.0 110.307 161.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.5 mp -84.98 154.22 22.28 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.587 1.555 . . . . 0.0 108.454 172.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -75.09 -57.19 4.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.33 56.89 3.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.831 1.252 . . . . 0.0 109.946 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -128.82 -38.52 1.67 Allowed 'General case' 0 C--N 1.342 0.246 0 C-N-CA 125.33 1.452 . . . . 0.0 110.185 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 134.55 52.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.99 29.93 6.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 111.794 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.88 74.68 6.61 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 168.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? 75.01 -52.72 0.67 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.073 1.749 . . . . 0.0 110.003 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.47 -78.38 0.14 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.988 1.315 . . . . 0.0 107.75 164.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.95 -80.91 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.401 1.88 . . . . 0.0 112.347 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 71.24 40.36 0.86 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.163 1.785 . . . . 0.0 111.684 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.018 -1.468 . . . . 0.0 108.907 168.54 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -83.37 62.16 6.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.761 0.824 . . . . 0.0 110.093 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.49 -149.17 0.46 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.084 1.354 . . . . 0.0 110.257 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.16 99.39 0.06 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.645 1.578 . . . . 0.0 110.739 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 54.25 42.49 31.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 111.026 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 179.84 5.5 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.746 1.219 . . . . 0.0 111.017 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.2 t -63.76 165.49 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.977 1.311 . . . . 0.0 108.978 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.9 69.93 2.58 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.039 1.291 . . . . 0.0 111.316 -171.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -145.61 156.32 43.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.344 1.857 . . . . 0.0 108.798 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -169.21 179.45 3.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.194 1.798 . . . . 0.0 107.403 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -70.09 -45.54 66.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -67.63 -51.93 44.27 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.651 1.18 . . . . 0.0 111.74 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -127.47 154.01 45.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.334 1.454 . . . . 0.0 110.031 -169.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -69.81 -52.67 23.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.462 1.505 . . . . 0.0 109.925 -172.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.23 154.95 35.7 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 108.643 166.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.45 137.49 42.63 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 165.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -45.76 79.71 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -69.12 -29.56 67.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.279 0.632 . . . . 0.0 112.476 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -66.52 106.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 61.63 -171.6 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.77 1.228 . . . . 0.0 110.48 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.2 tttp 73.99 -56.21 0.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.738 1.615 . . . . 0.0 112.858 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.51 76.09 0.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.978 1.711 . . . . 0.0 111.037 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 143.41 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.816 4.047 . . . . 0.0 110.636 176.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -50.54 4.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.843 1.257 . . . . 0.0 111.421 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.13 71.36 1.36 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.612 0.765 . . . . 0.0 110.595 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -37.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.436 1.494 . . . . 0.0 110.864 171.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.004 170.109 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.651 0.262 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -80.62 74.52 7.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.939 . . . . 0.0 110.212 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -138.27 134.06 33.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 169.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 164.96 12.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 111.591 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 50.86 50.75 18.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.694 1.597 . . . . 0.0 110.916 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -88.46 80.47 7.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.18 127.53 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.9 mt -137.05 120.99 17.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 62.81 -179.74 0.14 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.511 1.924 . . . . 0.0 112.61 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -85.26 170.84 12.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.359 0.663 . . . . 0.0 110.607 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 2.15 9.45 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -107.12 -73.18 0.7 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.652 1.181 . . . . 0.0 108.325 166.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -117.95 129.14 55.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.575 1.15 . . . . 0.0 108.026 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -83.7 27.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.327 1.051 . . . . 0.0 111.261 -169.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -169.36 151.71 4.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.097 2.159 . . . . 0.0 108.623 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.72 143.48 26.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.19 -45.57 80.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -60.35 -42.96 96.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.459 1.104 . . . . 0.0 110.639 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 61.39 32.3 19.07 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.282 1.433 . . . . 0.0 110.388 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 49.83 -104.68 0.15 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.467 1.507 . . . . 0.0 111.013 -172.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 38.12 -103.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.501 2.32 . . . . 0.0 115.402 169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 -26.58 22.92 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -148.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -74.32 -50.98 16.53 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.428 1.091 . . . . 0.0 108.497 -163.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.79 80.56 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.952 1.301 . . . . 0.0 107.905 164.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.1 -47.84 0.4 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.872 0.869 . . . . 0.0 110.139 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -76.44 41.78 0.26 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.497 1.119 . . . . 0.0 112.304 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.902 1.681 . . . . 0.0 108.642 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.4 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -145.16 161.6 39.12 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.893 1.277 . . . . 0.0 108.841 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -148.23 101.55 3.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.594 1.158 . . . . 0.0 108.57 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -163.22 -73.69 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -153.28 -54.12 0.11 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.248 1.419 . . . . 0.0 108.699 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 69.57 161.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.129 1.772 . . . . 0.0 112.034 173.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.19 -84.48 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.161 0.985 . . . . 0.0 109.991 -169.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 37.36 1.62 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.411 1.084 . . . . 0.0 110.273 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -147.03 165.92 28.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.383 2.273 . . . . 0.0 106.724 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -166.26 172.88 10.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.329 1.052 . . . . 0.0 108.507 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -88.43 29.05 1.02 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -138.17 -54.76 0.64 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 109.226 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.31 159.62 36.39 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.836 1.654 . . . . 0.0 109.78 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.88 -43.82 74.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.335 1.054 . . . . 0.0 111.805 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -149.37 164.38 35.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.715 1.606 . . . . 0.0 109.677 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.71 140.73 30.27 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 160.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -74.31 -46.28 42.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -75.05 -63.26 1.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.78 0.832 . . . . 0.0 110.479 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 70.04 -63.02 0.41 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.018 2.527 . . . . 0.0 112.678 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 58.46 -93.5 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.813 1.245 . . . . 0.0 109.652 -165.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -168.86 104.88 0.41 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.385 1.074 . . . . 0.0 109.34 173.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.72 156.81 37.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 163.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.72 59.19 0.94 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.276 0.63 . . . . 0.0 110.238 -174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.78 -139.32 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.133 0.973 . . . . 0.0 108.598 170.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.4 83.11 3.77 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.023 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.78 118.82 3.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.896 0.879 . . . . 0.0 109.885 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 126.788 2.035 . . . . 0.0 112.297 -173.855 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.915 -0.088 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -87.97 25.99 1.45 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.717 0.807 . . . . 0.0 112.312 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 39.24 58.49 1.87 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.469 1.507 . . . . 0.0 112.2 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt 63.01 60.54 1.21 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.185 1.394 . . . . 0.0 110.408 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 74.88 -55.23 0.65 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.658 2.383 . . . . 0.0 112.22 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -174.34 165.8 4.0 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 127.686 2.395 . . . . 0.0 107.544 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.61 -66.88 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.44 167.37 29.68 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.982 1.313 . . . . 0.0 109.579 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -68.45 126.14 28.7 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -82.41 175.47 10.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.841 0.856 . . . . 0.0 110.345 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.9 -32.18 60.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -106.25 -13.39 15.42 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.788 1.635 . . . . 0.0 113.191 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -29.81 111.24 0.07 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.84 2.056 . . . . 0.0 114.474 -157.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -88.33 37.65 0.83 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 170.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 53.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.344 0.349 0 C-N-CA 126.575 1.95 . . . . 0.0 112.546 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.52 103.66 0.55 Allowed 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -59.74 -47.14 86.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.4 -58.9 5.98 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.226 1.011 . . . . 0.0 109.754 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -164.15 106.06 0.9 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.49 -87.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -156.15 56.7 0.58 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.59 64.6 1.37 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.986 1.314 . . . . 0.0 108.693 -164.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.67 89.2 2.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.73 74.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.561 0.744 . . . . 0.0 110.126 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.26 69.55 6.72 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.112 0.965 . . . . 0.0 109.862 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -102.69 170.85 7.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.876 1.27 . . . . 0.0 110.237 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.08 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.76 169.12 16.12 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.848 0.859 . . . . 0.0 109.828 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 65.51 164.58 0.17 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.573 1.549 . . . . 0.0 113.75 166.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -85.05 69.29 10.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.553 0.741 . . . . 0.0 109.769 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 77.04 -51.27 0.56 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 127.213 2.205 . . . . 0.0 112.892 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -79.15 90.34 4.87 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -80.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.901 0.88 . . . . 0.0 111.235 -163.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tt -168.06 78.12 0.15 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.36 150.77 49.95 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.511 0.724 . . . . 0.0 111.707 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -90.5 168.88 11.5 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.373 1.069 . . . . 0.0 110.6 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.418 HD13 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -64.01 -38.01 89.52 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -78.33 -54.24 6.41 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.452 1.101 . . . . 0.0 110.286 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.53 126.63 31.44 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.55 1.54 . . . . 0.0 108.449 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -59.83 -40.07 87.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.426 1.491 . . . . 0.0 114.484 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -137.91 141.11 40.62 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.852 1.261 . . . . 0.0 110.171 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.65 144.63 47.31 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.418 ' CD1' HD13 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -65.58 -41.69 92.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.92 -48.1 83.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.357 0.663 . . . . 0.0 110.685 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -158.44 -47.54 0.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 119.16 87.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.685 2.794 . . . . 0.0 108.55 -166.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.23 -108.49 0.44 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.434 1.094 . . . . 0.0 109.626 -172.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -130.56 43.64 3.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.319 1.047 . . . . 0.0 109.091 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.91 -179.25 6.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.865 1.266 . . . . 0.0 109.411 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.33 -51.92 7.85 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.653 0.781 . . . . 0.0 110.545 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.45 2.31 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.864 1.265 . . . . 0.0 110.734 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -133.62 -72.78 0.49 Allowed 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.019 1.328 . . . . 0.0 108.137 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.697 1.599 . . . . 0.0 109.025 173.796 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.78 68.35 0.79 Allowed 'General case' 0 C--N 1.343 0.31 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -168.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 69.57 -149.92 0.12 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.495 1.118 . . . . 0.0 109.139 -168.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -145.18 165.11 29.26 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.131 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -75.42 106.17 6.83 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.332 0.653 . . . . 0.0 109.562 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 164.75 37.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.354 1.062 . . . . 0.0 109.78 175.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -81.76 -79.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.2 1.0 . . . . 0.0 109.666 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.83 76.82 1.57 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.684 1.193 . . . . 0.0 108.261 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.96 160.45 42.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.594 1.158 . . . . 0.0 109.493 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -103.32 165.59 10.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.508 1.123 . . . . 0.0 109.6 166.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -65.35 -35.86 82.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.0 -70.42 0.44 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.393 1.077 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -109.16 119.95 41.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.404 1.882 . . . . 0.0 107.433 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -66.61 -33.06 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 111.988 -165.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -145.61 140.39 27.33 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.097 0.959 . . . . 0.0 109.535 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.29 151.74 43.93 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 169.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.26 -47.46 79.52 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -64.37 -23.82 67.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.766 0.826 . . . . 0.0 111.276 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.328 7.5 pt20 67.5 -24.3 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.919 2.887 . . . . 0.0 115.453 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 75.72 -72.23 0.11 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.739 1.616 . . . . 0.0 112.936 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? 46.17 -107.27 0.15 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.064 1.746 . . . . 0.0 110.364 -172.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.07 -40.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.566 1.546 . . . . 0.0 110.188 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -51.79 -35.12 42.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.02 1.728 . . . . 0.0 112.37 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.89 62.26 1.06 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.41 -64.81 0.78 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.891 0.876 . . . . 0.0 111.833 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -76.87 -18.22 58.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -171.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.604 -174.659 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.91 -0.091 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -78.71 64.53 3.73 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.969 0.907 . . . . 0.0 108.615 172.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 40.96 62.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.485 1.514 . . . . 0.0 110.831 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 89.14 0.1 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.063 1.345 . . . . 0.0 108.726 -169.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -68.25 -74.72 0.12 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.929 1.292 . . . . 0.0 111.207 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 155.99 23.77 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.81 0.844 . . . . 0.0 111.839 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.61 -74.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 123.973 0.909 . . . . 0.0 109.977 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.33 149.98 4.19 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.475 0.71 . . . . 0.0 109.773 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -145.29 158.66 43.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.779 1.632 . . . . 0.0 108.223 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -157.84 172.66 18.07 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.297 1.039 . . . . 0.0 109.166 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp -62.15 -42.85 99.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -85.11 -30.92 23.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.845 1.658 . . . . 0.0 112.463 -172.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -72.18 151.61 42.83 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.929 1.691 . . . . 0.0 112.972 -160.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -98.23 -63.82 1.09 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 164.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -152.32 143.16 22.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.372 1.469 . . . . 0.0 108.489 168.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.85 109.17 6.23 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 168.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.64 -29.06 59.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -67.34 -46.52 73.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.312 0.645 . . . . 0.0 110.294 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -154.15 -46.4 0.09 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -171.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.79 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -157.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -149.56 -112.68 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.623 0.769 . . . . 0.0 111.076 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.9 127.61 33.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.099 0.96 . . . . 0.0 111.46 -163.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -89.53 -27.13 20.48 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.123 0.969 . . . . 0.0 111.683 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 -45.49 22.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.083 0.953 . . . . 0.0 111.539 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.47 33.12 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.699 0.8 . . . . 0.0 111.389 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -130.9 147.78 52.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.267 1.427 . . . . 0.0 107.945 171.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.845 1.258 . . . . 0.0 108.004 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -137.69 -153.62 0.49 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -123.07 175.51 6.58 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.886 1.274 . . . . 0.0 108.328 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.35 -75.51 0.05 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.325 1.85 . . . . 0.0 111.651 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -79.26 -83.73 0.09 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.319 0.647 . . . . 0.0 110.008 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -87.44 80.77 8.01 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.01 125.75 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 124.016 0.926 . . . . 0.0 110.265 -173.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.0 tp -79.63 87.01 5.2 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 65.5 157.12 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.653 2.381 . . . . 0.0 113.345 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -91.89 168.23 11.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.66 -36.51 76.58 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -73.36 -56.48 5.01 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 110.633 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -156.6 137.1 13.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.67 1.188 . . . . 0.0 108.512 -169.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -86.19 35.27 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.109 1.364 . . . . 0.0 113.275 -165.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 174.96 139.89 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 127.262 2.225 . . . . 0.0 107.727 170.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.33 137.91 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.32 -48.31 82.28 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.88 -43.43 96.06 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.494 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.28 0.0 OUTLIER 74.67 -53.68 0.67 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.497 2.319 . . . . 0.0 111.046 -172.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 168.04 20.01 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.095 0.958 . . . . 0.0 110.997 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? 55.63 72.54 0.48 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.398 1.479 . . . . 0.0 110.257 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.1 96.39 0.2 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.126 0.971 . . . . 0.0 111.318 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.4 151.83 46.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 167.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.72 18.71 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.803 1.641 . . . . 0.0 114.19 -166.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.33 -50.34 0.68 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 126.039 1.736 . . . . 0.0 111.718 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -67.38 133.05 48.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 116.881 -1.533 . . . . 0.0 110.572 -167.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.88 147.03 47.97 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.579 1.152 . . . . 0.0 110.112 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -85.99 -170.56 3.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.879 0.872 . . . . 0.0 111.583 -171.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.326 0.5 OUTLIER 54.65 -177.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.285 2.634 . . . . 0.0 114.328 -176.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -48.57 124.14 7.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.133 1.373 . . . . 0.0 112.08 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 128.62 55.83 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.373 1.469 . . . . 0.0 107.39 176.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.96 -75.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 123.948 0.899 . . . . 0.0 109.393 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 153.75 20.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.548 1.139 . . . . 0.0 108.824 168.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 57.71 -179.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.36 1.464 . . . . 0.0 112.101 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -150.65 167.4 27.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.558 0.743 . . . . 0.0 109.838 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.13 -41.97 98.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.99 -69.75 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.122 1.769 . . . . 0.0 110.819 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -116.48 130.57 56.83 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.5 -14.49 58.85 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.058 0.943 . . . . 0.0 112.076 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -153.05 128.13 9.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.605 1.562 . . . . 0.0 107.061 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 mp -70.48 154.41 41.91 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.204 0.456 . . . . 0.0 110.364 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -65.48 -42.76 91.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.96 -59.64 4.24 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.928 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.58 44.82 0.35 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.382 0.537 . . . . 0.0 112.407 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.35 -105.42 0.27 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.396 1.078 . . . . 0.0 110.169 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.248 1.019 . . . . 0.0 108.29 166.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.28 53.76 0.75 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.899 1.28 . . . . 0.0 108.201 171.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -160.14 113.9 2.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 122.911 0.484 . . . . 0.0 109.803 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.03 -165.9 1.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.548 1.139 . . . . 0.0 110.403 175.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 159.71 13.91 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 0.0 111.352 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -149.59 53.53 0.94 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.277 1.031 . . . . 0.0 108.402 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.077 -178.155 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 65.27 169.49 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 112.18 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.37 -168.71 2.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.017 1.327 . . . . 0.0 108.384 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 pttt 55.71 5.97 0.17 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.311 2.244 . . . . 0.0 116.575 170.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? 60.34 -167.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.543 1.537 . . . . 0.0 111.82 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 61.42 84.46 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.978 1.711 . . . . 0.0 110.931 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.39 -64.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.558 1.543 . . . . 0.0 110.06 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -136.72 170.64 15.74 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.995 1.318 . . . . 0.0 109.069 170.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -110.37 154.33 23.7 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.019 1.327 . . . . 0.0 109.245 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -81.15 172.7 13.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.139 0.576 . . . . 0.0 110.979 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -85.93 33.63 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -146.24 -60.98 0.31 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.298 1.439 . . . . 0.0 108.42 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -108.43 149.67 28.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.644 1.577 . . . . 0.0 109.133 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.0 46.74 1.22 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.917 1.287 . . . . 0.0 111.236 -171.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 79.09 141.32 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.871 2.069 . . . . 0.0 110.693 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.25 145.89 54.58 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.737 0.415 . . . . 0.0 111.447 -170.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -81.91 -54.71 5.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -30.53 58.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 112.428 -167.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 73.42 169.32 0.31 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.248 1.819 . . . . 0.0 109.877 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.61 -71.45 0.37 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -156.63 45.36 0.41 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.339 1.056 . . . . 0.0 108.348 167.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.47 63.76 7.19 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.96 1.304 . . . . 0.0 108.814 -168.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? 71.98 -1.53 2.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.272 1.429 . . . . 0.0 112.054 -171.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.47 56.93 4.03 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.01 0.924 . . . . 0.0 109.325 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.1 176.19 2.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.634 1.974 . . . . 0.0 108.174 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.15 68.8 4.26 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 175.277 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 60.95 176.09 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 62.44 -167.37 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.207 1.003 . . . . 0.0 109.784 -167.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 50.32 -101.79 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.032 1.333 . . . . 0.0 110.425 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -153.15 51.84 0.73 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.129 0.571 . . . . 0.0 110.181 172.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.23 66.62 3.47 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 169.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.12 -72.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.676 1.19 . . . . 0.0 110.444 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -168.58 156.25 7.9 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 64.49 165.82 0.15 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.593 2.357 . . . . 0.0 112.988 179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p -112.01 166.57 11.11 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.607 1.163 . . . . 0.0 109.898 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -82.14 16.61 1.89 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.3 -76.02 0.43 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.894 0.878 . . . . 0.0 112.279 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -169.88 151.09 4.03 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -151.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? 69.51 -45.08 0.56 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.139 3.376 . . . . 0.0 113.373 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 58.49 58.79 3.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.729 1.612 . . . . 0.0 109.06 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp 21.54 107.34 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 130.373 3.469 . . . . 0.0 114.532 -163.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -73.33 -26.71 61.15 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -73.48 0.13 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -176.82 -46.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.135 0.974 . . . . 0.0 110.651 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 127.91 25.71 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.083 0.953 . . . . 0.0 112.938 -163.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -65.8 -49.7 67.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.584 1.154 . . . . 0.0 110.894 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -131.09 34.94 3.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.369 1.068 . . . . 0.0 110.632 -173.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tptp 70.65 -58.3 0.56 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.924 2.09 . . . . 0.0 110.404 -171.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -172.55 3.27 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 156.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.78 -55.88 9.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -144.23 -68.45 0.32 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.663 1.185 . . . . 0.0 108.256 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 C-N-CA 128.861 2.864 . . . . 0.0 112.81 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 119.049 -0.501 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 50.85 50.28 19.36 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.135 1.374 . . . . 0.0 111.536 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 58.93 20.86 8.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.987 1.315 . . . . 0.0 112.982 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -142.57 -170.04 3.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.424 1.489 . . . . 0.0 108.83 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 64.63 71.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.323 1.449 . . . . 0.0 111.03 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -143.35 90.24 2.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.421 1.488 . . . . 0.0 107.663 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.4 t -72.83 -66.23 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.528 1.131 . . . . 0.0 110.481 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 tp -84.38 107.44 16.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 61.88 150.37 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.094 2.558 . . . . 0.0 113.271 -167.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p -171.32 177.68 3.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.845 2.058 . . . . 0.0 107.4 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -42.89 94.11 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 -73.41 0.38 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.466 1.106 . . . . 0.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -107.4 121.16 44.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.455 1.502 . . . . 0.0 108.071 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -77.69 12.81 1.51 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -165.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -158.65 154.0 25.74 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 126.49 1.916 . . . . 0.0 107.977 171.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.24 123.84 27.8 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 156.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -73.24 -51.03 19.19 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -51.78 -53.16 42.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.768 2.027 . . . . 0.0 111.542 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -56.92 -55.44 34.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -157.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 62.43 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.557 1.543 . . . . 0.0 110.841 -169.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -145.92 61.6 1.25 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.971 1.308 . . . . 0.0 110.364 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.23 137.84 57.25 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 167.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.26 61.9 2.55 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.8 1.24 . . . . 0.0 109.925 -172.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 -56.88 14.13 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.061 0.944 . . . . 0.0 110.767 -174.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 127.78 34.06 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -53.13 -54.26 38.35 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.447 1.099 . . . . 0.0 111.089 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.512 172.426 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -84.51 59.68 5.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.603 0.761 . . . . 0.0 109.734 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -170.23 70.98 0.06 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.022 1.329 . . . . 0.0 108.984 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -63.12 163.26 10.35 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.585 0.754 . . . . 0.0 111.716 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp85 -62.16 119.98 10.02 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 166.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 61.4 74.63 0.44 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.812 1.245 . . . . 0.0 110.887 -171.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.3 t -55.69 -61.31 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 124.613 1.165 . . . . 0.0 108.508 167.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -56.49 114.98 2.25 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 166.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.91 136.01 35.29 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.906 1.282 . . . . 0.0 111.645 -163.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -87.25 172.92 9.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 -171.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -58.56 -27.98 65.08 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -96.31 -67.36 0.85 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.729 1.212 . . . . 0.0 109.463 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -105.73 117.8 34.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.028 1.331 . . . . 0.0 108.239 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -84.23 -1.39 55.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.688 1.195 . . . . 0.0 113.838 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -166.41 127.39 1.72 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.313 1.845 . . . . 0.0 107.741 169.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.96 140.97 44.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.3 -44.52 96.33 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -71.76 -43.07 66.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.746 0.818 . . . . 0.0 110.994 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -146.43 79.8 1.54 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.131 0.972 . . . . 0.0 110.421 -169.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.08 70.84 2.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.45 1.1 . . . . 0.0 109.75 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -159.22 -29.95 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.674 1.19 . . . . 0.0 111.922 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 82.5 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.415 1.486 . . . . 0.0 110.356 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? 59.11 59.27 2.81 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.14 1.376 . . . . 0.0 109.183 -174.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.23 -64.42 1.14 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.516 0.726 . . . . 0.0 110.963 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.17 131.75 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.624 0.769 . . . . 0.0 110.327 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 59.45 54.96 4.37 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.148 1.379 . . . . 0.0 111.758 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.979 1.312 . . . . 0.0 109.601 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 65.24 175.6 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.492 1.517 . . . . 0.0 112.14 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 149.53 48.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.023 0.529 . . . . 0.0 112.328 -173.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm 63.76 168.92 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.567 1.947 . . . . 0.0 113.915 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -172.06 -47.73 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.523 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -44.0 120.93 2.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.518 1.527 . . . . 0.0 113.601 -171.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.96 -55.21 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.949 1.7 . . . . 0.0 109.576 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.57 143.06 54.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.326 0.651 . . . . 0.0 110.297 172.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -125.98 170.69 11.45 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.85 1.26 . . . . 0.0 110.882 -169.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -89.24 167.78 12.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.537 0.735 . . . . 0.0 110.04 173.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.12 -37.5 80.22 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.19 -54.48 6.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.573 1.149 . . . . 0.0 109.527 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -150.02 136.1 18.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.977 1.311 . . . . 0.0 108.744 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.61 40.2 0.78 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.54 0.736 . . . . 0.0 111.55 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -142.81 150.78 40.4 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.029 1.331 . . . . 0.0 110.118 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.72 143.81 48.57 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 155.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -68.85 -39.69 79.77 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -74.81 -52.53 11.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.155 0.982 . . . . 0.0 111.837 -173.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -56.66 132.85 53.05 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.64 0.376 . . . . 0.0 111.431 -170.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 78.39 -45.16 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.706 2.002 . . . . 0.0 111.54 -174.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -82.34 47.35 1.14 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.196 0.998 . . . . 0.0 109.406 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -77.67 13.61 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -165.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -61.14 -35.74 77.91 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.759 -0.588 . . . . 0.0 109.512 155.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.51 78.89 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.41 0.684 . . . . 0.0 111.363 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.53 78.73 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.101 0.56 . . . . 0.0 110.642 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -62.47 -62.13 1.96 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.248 1.019 . . . . 0.0 110.648 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.13 1.772 . . . . 0.0 108.179 175.287 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.76 87.43 0.7 Allowed 'General case' 0 C--N 1.342 0.249 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 60.94 -150.12 0.41 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.277 1.031 . . . . 0.0 109.18 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -82.78 -49.11 10.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.006 0.522 . . . . 0.0 110.029 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? 35.38 73.37 0.08 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 127.52 2.328 . . . . 0.0 112.021 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? 64.43 87.08 0.12 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.613 1.165 . . . . 0.0 109.684 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t -48.68 135.15 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.36 1.464 . . . . 0.0 111.299 -170.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.16 166.95 31.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.522 1.129 . . . . 0.0 109.428 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.72 -72.68 0.35 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.108 0.963 . . . . 0.0 111.011 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -144.09 167.13 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.233 1.813 . . . . 0.0 108.484 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.75 -56.62 12.48 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.75 -43.96 97.32 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.502 1.121 . . . . 0.0 112.251 -172.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.8 144.98 30.62 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.813 0.845 . . . . 0.0 109.491 168.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -61.4 -46.94 88.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 111.814 -169.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -136.33 142.47 43.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.782 1.233 . . . . 0.0 109.876 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.79 139.41 33.57 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.279 1.032 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -78.7 -33.86 46.55 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.38 -49.83 73.96 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.35 -41.53 80.25 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.688 0.795 . . . . 0.0 110.403 171.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 92.32 88.58 0.01 OUTLIER 'General case' 0 C--N 1.343 0.298 0 C-N-CA 128.521 2.728 . . . . 0.0 110.022 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 21.87 1.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.497 1.119 . . . . 0.0 112.139 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.79 16.09 9.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.529 0.732 . . . . 0.0 110.649 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -57.54 -24.78 58.03 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.003 1.321 . . . . 0.0 113.673 -170.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.804 0.842 . . . . 0.0 112.288 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.1 -60.71 1.85 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.519 1.128 . . . . 0.0 110.81 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -95.0 -173.05 2.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.352 1.461 . . . . 0.0 109.19 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.876 2.07 . . . . 0.0 114.157 168.142 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -78.29 73.17 4.85 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.131 0.972 . . . . 0.0 110.143 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -152.97 103.79 2.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm 42.97 42.47 3.13 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.215 1.806 . . . . 0.0 113.075 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -67.91 157.83 34.06 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.431 0.692 . . . . 0.0 111.213 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -149.36 132.85 16.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.492 1.117 . . . . 0.0 109.565 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.51 -69.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -83.94 164.17 19.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.418 1.087 . . . . 0.0 110.664 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -137.78 150.12 46.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.72 1.208 . . . . 0.0 109.376 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -94.09 176.58 6.27 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.485 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.55 -45.18 72.83 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -75.78 -61.14 2.02 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.911 1.284 . . . . 0.0 112.123 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.37 97.23 2.62 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.09 1.756 . . . . 0.0 106.913 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -61.22 2.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.531 0.733 . . . . 0.0 109.742 -171.031 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -76.11 98.53 4.38 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.85 123.94 22.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -37.8 65.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -70.02 -67.28 0.5 Allowed 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.007 0.523 . . . . 0.0 110.317 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -168.72 111.96 0.56 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.933 0.893 . . . . 0.0 108.927 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.3 139.26 37.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.736 1.215 . . . . 0.0 108.942 173.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -141.3 84.77 1.93 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.41 1.484 . . . . 0.0 107.472 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.4 -32.48 71.37 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.961 1.304 . . . . 0.0 112.644 -171.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? 71.05 89.22 0.1 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.948 1.699 . . . . 0.0 109.772 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.48 137.91 50.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.229 0.612 . . . . 0.0 110.1 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.12 -74.14 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 125.121 1.368 . . . . 0.0 107.883 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -34.85 22.43 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.271 1.028 . . . . 0.0 109.778 164.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.478 1.511 . . . . 0.0 109.708 168.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -80.5 69.69 7.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.215 1.006 . . . . 0.0 109.99 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.38 19.99 0.64 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.966 0.906 . . . . 0.0 112.64 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -72.22 -46.45 56.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.593 0.757 . . . . 0.0 110.025 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 68.51 -73.54 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.901 2.08 . . . . 0.0 111.016 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -81.72 68.49 8.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.125 0.97 . . . . 0.0 109.188 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.77 -67.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.894 1.677 . . . . 0.0 108.931 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.8 tp -145.72 92.17 2.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 172.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 59.26 178.76 0.08 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.073 1.749 . . . . 0.0 112.393 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -152.82 165.14 36.34 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 124.383 1.073 . . . . 0.0 108.897 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -5.79 46.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -104.21 -62.51 1.31 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.619 1.568 . . . . 0.0 109.123 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -70.04 159.57 33.58 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.183 0.993 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -81.62 -59.04 2.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 160.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -151.94 132.43 13.83 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.317 1.447 . . . . 0.0 108.778 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -69.11 132.67 46.95 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -73.81 -37.85 64.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -65.02 -59.92 3.61 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.523 0.729 . . . . 0.0 109.299 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.14 61.91 0.73 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.436 1.894 . . . . 0.0 113.419 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.69 84.37 0.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.976 0.911 . . . . 0.0 110.236 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 72.18 115.61 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.866 2.066 . . . . 0.0 109.971 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.32 60.88 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.757 1.223 . . . . 0.0 110.376 -173.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.33 74.29 7.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.802 0.841 . . . . 0.0 110.921 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.61 98.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.158 0.583 . . . . 0.0 109.64 165.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.98 179.8 4.15 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.471 1.508 . . . . 0.0 110.212 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.73 -7.29 1.45 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.573 1.149 . . . . 0.0 112.833 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.257 -172.765 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.5 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 38' ' ' ILE . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 38' ' ' ILE . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 38' ' ' ILE . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.46 0.648 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 38' ' ' ILE . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 30' ' ' GLU . 4.2 mp . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 38' ' ' ILE . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm . . . . . 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.714 0.292 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' HIS . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 38' ' ' ILE . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 38' ' ' ILE . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? . . . . . 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.765 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 40' ' ' LEU . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 38' ' ' ILE . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -151.58 169.32 22.41 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.269 1.028 . . . . 0.0 108.547 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 59.2 36.31 23.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.109 1.364 . . . . 0.0 110.704 -165.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -145.8 161.05 40.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.387 1.875 . . . . 0.0 107.648 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 ttm105 -80.14 69.61 6.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.302 0.641 . . . . 0.0 109.665 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -145.1 63.66 1.28 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.246 1.818 . . . . 0.0 107.241 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.49 -71.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 123.982 0.913 . . . . 0.0 108.684 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.09 120.31 33.24 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.263 1.025 . . . . 0.0 108.264 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 60.73 175.65 0.1 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.363 1.865 . . . . 0.0 113.561 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -165.06 174.84 9.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.526 1.531 . . . . 0.0 108.392 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -67.13 -47.87 69.81 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.87 -65.26 0.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.181 1.392 . . . . 0.0 111.037 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -114.42 119.37 36.68 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.078 2.151 . . . . 0.0 107.174 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -50.71 -56.86 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.842 0.857 . . . . 0.0 112.04 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -138.38 141.92 39.63 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.997 1.319 . . . . 0.0 109.043 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.93 142.75 38.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.98 -55.47 16.61 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.14 -37.71 72.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.907 1.283 . . . . 0.0 112.081 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.4 113.76 2.12 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 67.53 67.48 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.58 1.552 . . . . 0.0 110.682 -168.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.252 19.7 ptpt 57.51 149.51 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 129.739 3.216 . . . . 0.0 115.308 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.27 73.51 1.3 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.387 1.475 . . . . 0.0 110.646 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -76.78 68.48 3.01 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.37 1.468 . . . . 0.0 110.947 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.4 -114.19 0.08 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.429 1.492 . . . . 0.0 107.991 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.43 63.81 5.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -106.31 90.05 3.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.359 1.464 . . . . 0.0 108.367 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.602 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.027 -0.035 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -81.45 63.31 5.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.12 0.968 . . . . 0.0 109.6 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.5 90.15 0.71 Allowed 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.12 157.4 13.45 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.675 0.79 . . . . 0.0 110.447 175.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -138.25 -71.97 0.41 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 171.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -97.31 136.68 37.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 167.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.77 -72.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.824 0.85 . . . . 0.0 109.103 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.71 50.87 0.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.709 1.204 . . . . 0.0 108.742 165.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -139.99 160.86 38.96 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.06 0.944 . . . . 0.0 111.43 -169.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p -92.81 176.24 6.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.024 1.33 . . . . 0.0 110.06 172.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -45.78 60.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -87.44 -72.13 0.53 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.153 1.381 . . . . 0.0 110.253 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -110.24 125.78 53.45 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.275 1.43 . . . . 0.0 108.828 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -81.21 23.3 0.6 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.72 0.808 . . . . 0.0 112.535 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -165.96 169.74 14.41 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.303 2.241 . . . . 0.0 107.356 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp -111.72 140.0 46.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 151.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.64 -48.49 72.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -57.45 -43.44 83.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.157 0.983 . . . . 0.0 110.117 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.21 93.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.726 1.61 . . . . 0.0 110.186 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.29 98.04 7.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.617 1.167 . . . . 0.0 108.847 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 60.34 -82.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.387 1.875 . . . . 0.0 112.207 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -112.87 47.8 1.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.91 2.084 . . . . 0.0 107.529 -175.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm 75.25 -63.68 0.4 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.25 2.22 . . . . 0.0 110.783 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.95 48.02 1.96 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.383 1.073 . . . . 0.0 111.104 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.79 -47.86 0.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 126.956 2.103 . . . . 0.0 111.641 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -138.97 179.01 6.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.071 2.148 . . . . 0.0 106.727 169.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.474 1.51 . . . . 0.0 110.399 -178.412 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -140.65 163.64 32.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.182 1.393 . . . . 0.0 108.526 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -157.87 164.01 37.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.285 1.034 . . . . 0.0 108.408 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -50.34 -43.12 53.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 112.995 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 160.69 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.977 2.911 . . . . 0.0 106.938 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -147.17 136.7 22.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.549 1.14 . . . . 0.0 108.261 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.42 -68.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 169.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -155.77 171.6 19.74 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.78 1.632 . . . . 0.0 107.437 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -52.52 135.6 33.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.059 0.544 . . . . 0.0 109.646 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -102.07 168.85 9.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.291 1.036 . . . . 0.0 110.302 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -47.48 -47.78 27.27 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -86.94 -66.33 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.898 1.279 . . . . 0.0 110.669 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -103.07 105.39 15.7 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.784 1.234 . . . . 0.0 110.16 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -70.15 -16.3 63.07 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.538 0.735 . . . . 0.0 111.33 174.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -151.8 141.48 21.82 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.919 1.288 . . . . 0.0 110.307 161.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.5 mp -84.98 154.22 22.28 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.587 1.555 . . . . 0.0 108.454 172.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -75.09 -57.19 4.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.33 56.89 3.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.831 1.252 . . . . 0.0 109.946 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -128.82 -38.52 1.67 Allowed 'General case' 0 C--N 1.342 0.246 0 C-N-CA 125.33 1.452 . . . . 0.0 110.185 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 134.55 52.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.99 29.93 6.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 111.794 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.88 74.68 6.61 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 168.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? 75.01 -52.72 0.67 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.073 1.749 . . . . 0.0 110.003 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.47 -78.38 0.14 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.988 1.315 . . . . 0.0 107.75 164.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.95 -80.91 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.401 1.88 . . . . 0.0 112.347 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 71.24 40.36 0.86 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.163 1.785 . . . . 0.0 111.684 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.018 -1.468 . . . . 0.0 108.907 168.54 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -83.37 62.16 6.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.761 0.824 . . . . 0.0 110.093 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.49 -149.17 0.46 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.084 1.354 . . . . 0.0 110.257 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.16 99.39 0.06 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.645 1.578 . . . . 0.0 110.739 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 54.25 42.49 31.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 111.026 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 179.84 5.5 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.746 1.219 . . . . 0.0 111.017 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.2 t -63.76 165.49 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.977 1.311 . . . . 0.0 108.978 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.9 69.93 2.58 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.039 1.291 . . . . 0.0 111.316 -171.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -145.61 156.32 43.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.344 1.857 . . . . 0.0 108.798 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -169.21 179.45 3.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.194 1.798 . . . . 0.0 107.403 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -70.09 -45.54 66.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -67.63 -51.93 44.27 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.651 1.18 . . . . 0.0 111.74 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -127.47 154.01 45.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.334 1.454 . . . . 0.0 110.031 -169.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -69.81 -52.67 23.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.462 1.505 . . . . 0.0 109.925 -172.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.23 154.95 35.7 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 108.643 166.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.45 137.49 42.63 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 165.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 38' ' ' ILE . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -45.76 79.71 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -69.12 -29.56 67.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.279 0.632 . . . . 0.0 112.476 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -66.52 106.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 61.63 -171.6 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.77 1.228 . . . . 0.0 110.48 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.2 tttp 73.99 -56.21 0.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.738 1.615 . . . . 0.0 112.858 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.51 76.09 0.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.978 1.711 . . . . 0.0 111.037 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 143.41 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.816 4.047 . . . . 0.0 110.636 176.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -50.54 4.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.843 1.257 . . . . 0.0 111.421 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.13 71.36 1.36 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.612 0.765 . . . . 0.0 110.595 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -37.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.436 1.494 . . . . 0.0 110.864 171.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.004 170.109 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.651 0.262 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -80.62 74.52 7.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.939 . . . . 0.0 110.212 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -138.27 134.06 33.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 169.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 164.96 12.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 111.591 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 50.86 50.75 18.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.694 1.597 . . . . 0.0 110.916 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -88.46 80.47 7.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.18 127.53 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.9 mt -137.05 120.99 17.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 62.81 -179.74 0.14 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.511 1.924 . . . . 0.0 112.61 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -85.26 170.84 12.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.359 0.663 . . . . 0.0 110.607 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 2.15 9.45 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -107.12 -73.18 0.7 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.652 1.181 . . . . 0.0 108.325 166.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -117.95 129.14 55.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.575 1.15 . . . . 0.0 108.026 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -83.7 27.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.327 1.051 . . . . 0.0 111.261 -169.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -169.36 151.71 4.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.097 2.159 . . . . 0.0 108.623 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.72 143.48 26.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.19 -45.57 80.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -60.35 -42.96 96.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.459 1.104 . . . . 0.0 110.639 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 61.39 32.3 19.07 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.282 1.433 . . . . 0.0 110.388 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 49.83 -104.68 0.15 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.467 1.507 . . . . 0.0 111.013 -172.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 38.12 -103.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.501 2.32 . . . . 0.0 115.402 169.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 -26.58 22.92 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -148.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -74.32 -50.98 16.53 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.428 1.091 . . . . 0.0 108.497 -163.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.79 80.56 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.952 1.301 . . . . 0.0 107.905 164.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.1 -47.84 0.4 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.872 0.869 . . . . 0.0 110.139 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -76.44 41.78 0.26 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.497 1.119 . . . . 0.0 112.304 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.902 1.681 . . . . 0.0 108.642 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.4 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -145.16 161.6 39.12 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.893 1.277 . . . . 0.0 108.841 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -148.23 101.55 3.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.594 1.158 . . . . 0.0 108.57 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -163.22 -73.69 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -153.28 -54.12 0.11 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.248 1.419 . . . . 0.0 108.699 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 69.57 161.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.129 1.772 . . . . 0.0 112.034 173.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.19 -84.48 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.161 0.985 . . . . 0.0 109.991 -169.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 37.36 1.62 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.411 1.084 . . . . 0.0 110.273 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -147.03 165.92 28.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.383 2.273 . . . . 0.0 106.724 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -166.26 172.88 10.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.329 1.052 . . . . 0.0 108.507 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -88.43 29.05 1.02 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -138.17 -54.76 0.64 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 109.226 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.31 159.62 36.39 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.836 1.654 . . . . 0.0 109.78 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.88 -43.82 74.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.335 1.054 . . . . 0.0 111.805 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -149.37 164.38 35.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.715 1.606 . . . . 0.0 109.677 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.71 140.73 30.27 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 160.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -74.31 -46.28 42.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -75.05 -63.26 1.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.78 0.832 . . . . 0.0 110.479 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 70.04 -63.02 0.41 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.018 2.527 . . . . 0.0 112.678 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 58.46 -93.5 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.813 1.245 . . . . 0.0 109.652 -165.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -168.86 104.88 0.41 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.385 1.074 . . . . 0.0 109.34 173.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.72 156.81 37.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 163.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.72 59.19 0.94 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.276 0.63 . . . . 0.0 110.238 -174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.78 -139.32 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.133 0.973 . . . . 0.0 108.598 170.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.4 83.11 3.77 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.023 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.78 118.82 3.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.896 0.879 . . . . 0.0 109.885 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 126.788 2.035 . . . . 0.0 112.297 -173.855 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.915 -0.088 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -87.97 25.99 1.45 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.717 0.807 . . . . 0.0 112.312 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 39.24 58.49 1.87 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.469 1.507 . . . . 0.0 112.2 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt 63.01 60.54 1.21 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.185 1.394 . . . . 0.0 110.408 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 74.88 -55.23 0.65 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.658 2.383 . . . . 0.0 112.22 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -174.34 165.8 4.0 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 127.686 2.395 . . . . 0.0 107.544 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.61 -66.88 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.44 167.37 29.68 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.982 1.313 . . . . 0.0 109.579 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -68.45 126.14 28.7 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -82.41 175.47 10.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.841 0.856 . . . . 0.0 110.345 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.9 -32.18 60.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -106.25 -13.39 15.42 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.788 1.635 . . . . 0.0 113.191 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -29.81 111.24 0.07 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.84 2.056 . . . . 0.0 114.474 -157.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -88.33 37.65 0.83 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 170.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 53.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.344 0.349 0 C-N-CA 126.575 1.95 . . . . 0.0 112.546 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.52 103.66 0.55 Allowed 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 38' ' ' ILE . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -59.74 -47.14 86.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.4 -58.9 5.98 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.226 1.011 . . . . 0.0 109.754 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -164.15 106.06 0.9 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.49 -87.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -156.15 56.7 0.58 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.59 64.6 1.37 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.986 1.314 . . . . 0.0 108.693 -164.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.67 89.2 2.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.73 74.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.561 0.744 . . . . 0.0 110.126 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.26 69.55 6.72 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.112 0.965 . . . . 0.0 109.862 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -102.69 170.85 7.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.876 1.27 . . . . 0.0 110.237 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.08 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.76 169.12 16.12 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.848 0.859 . . . . 0.0 109.828 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 65.51 164.58 0.17 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.573 1.549 . . . . 0.0 113.75 166.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -85.05 69.29 10.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.553 0.741 . . . . 0.0 109.769 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 77.04 -51.27 0.56 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 127.213 2.205 . . . . 0.0 112.892 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -79.15 90.34 4.87 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -80.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.901 0.88 . . . . 0.0 111.235 -163.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tt -168.06 78.12 0.15 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.36 150.77 49.95 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.511 0.724 . . . . 0.0 111.707 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -90.5 168.88 11.5 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.373 1.069 . . . . 0.0 110.6 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -64.01 -38.01 89.52 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -78.33 -54.24 6.41 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.452 1.101 . . . . 0.0 110.286 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.53 126.63 31.44 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.55 1.54 . . . . 0.0 108.449 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -59.83 -40.07 87.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.426 1.491 . . . . 0.0 114.484 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -137.91 141.11 40.62 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.852 1.261 . . . . 0.0 110.171 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.65 144.63 47.31 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -65.58 -41.69 92.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.92 -48.1 83.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.357 0.663 . . . . 0.0 110.685 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -158.44 -47.54 0.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 119.16 87.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.685 2.794 . . . . 0.0 108.55 -166.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.23 -108.49 0.44 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.434 1.094 . . . . 0.0 109.626 -172.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -130.56 43.64 3.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.319 1.047 . . . . 0.0 109.091 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.91 -179.25 6.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.865 1.266 . . . . 0.0 109.411 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.33 -51.92 7.85 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.653 0.781 . . . . 0.0 110.545 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.45 2.31 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.864 1.265 . . . . 0.0 110.734 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -133.62 -72.78 0.49 Allowed 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.019 1.328 . . . . 0.0 108.137 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.697 1.599 . . . . 0.0 109.025 173.796 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.78 68.35 0.79 Allowed 'General case' 0 C--N 1.343 0.31 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -168.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 69.57 -149.92 0.12 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.495 1.118 . . . . 0.0 109.139 -168.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -145.18 165.11 29.26 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.131 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -75.42 106.17 6.83 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.332 0.653 . . . . 0.0 109.562 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 164.75 37.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.354 1.062 . . . . 0.0 109.78 175.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -81.76 -79.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.2 1.0 . . . . 0.0 109.666 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.83 76.82 1.57 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.684 1.193 . . . . 0.0 108.261 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.96 160.45 42.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.594 1.158 . . . . 0.0 109.493 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -103.32 165.59 10.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.508 1.123 . . . . 0.0 109.6 166.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -65.35 -35.86 82.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.0 -70.42 0.44 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.393 1.077 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -109.16 119.95 41.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.404 1.882 . . . . 0.0 107.433 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -66.61 -33.06 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 111.988 -165.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -145.61 140.39 27.33 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.097 0.959 . . . . 0.0 109.535 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.29 151.74 43.93 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 169.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.26 -47.46 79.52 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -64.37 -23.82 67.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.766 0.826 . . . . 0.0 111.276 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.328 7.5 pt20 67.5 -24.3 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.919 2.887 . . . . 0.0 115.453 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 75.72 -72.23 0.11 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.739 1.616 . . . . 0.0 112.936 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? 46.17 -107.27 0.15 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.064 1.746 . . . . 0.0 110.364 -172.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.07 -40.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.566 1.546 . . . . 0.0 110.188 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -51.79 -35.12 42.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.02 1.728 . . . . 0.0 112.37 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.89 62.26 1.06 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.41 -64.81 0.78 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.891 0.876 . . . . 0.0 111.833 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -76.87 -18.22 58.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -171.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.604 -174.659 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.91 -0.091 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -78.71 64.53 3.73 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.969 0.907 . . . . 0.0 108.615 172.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 40.96 62.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.485 1.514 . . . . 0.0 110.831 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 89.14 0.1 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.063 1.345 . . . . 0.0 108.726 -169.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -68.25 -74.72 0.12 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.929 1.292 . . . . 0.0 111.207 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 155.99 23.77 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.81 0.844 . . . . 0.0 111.839 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.61 -74.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 123.973 0.909 . . . . 0.0 109.977 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.33 149.98 4.19 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.475 0.71 . . . . 0.0 109.773 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -145.29 158.66 43.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.779 1.632 . . . . 0.0 108.223 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -157.84 172.66 18.07 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.297 1.039 . . . . 0.0 109.166 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp -62.15 -42.85 99.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -85.11 -30.92 23.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.845 1.658 . . . . 0.0 112.463 -172.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -72.18 151.61 42.83 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.929 1.691 . . . . 0.0 112.972 -160.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -98.23 -63.82 1.09 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 164.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -152.32 143.16 22.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.372 1.469 . . . . 0.0 108.489 168.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.85 109.17 6.23 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 168.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 38' ' ' ILE . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.64 -29.06 59.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -67.34 -46.52 73.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.312 0.645 . . . . 0.0 110.294 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -154.15 -46.4 0.09 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -171.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.79 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -157.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -149.56 -112.68 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.623 0.769 . . . . 0.0 111.076 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.9 127.61 33.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.099 0.96 . . . . 0.0 111.46 -163.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -89.53 -27.13 20.48 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.123 0.969 . . . . 0.0 111.683 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 -45.49 22.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.083 0.953 . . . . 0.0 111.539 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.47 33.12 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.699 0.8 . . . . 0.0 111.389 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -130.9 147.78 52.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.267 1.427 . . . . 0.0 107.945 171.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.845 1.258 . . . . 0.0 108.004 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -137.69 -153.62 0.49 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -123.07 175.51 6.58 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.886 1.274 . . . . 0.0 108.328 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.35 -75.51 0.05 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.325 1.85 . . . . 0.0 111.651 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -79.26 -83.73 0.09 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.319 0.647 . . . . 0.0 110.008 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -87.44 80.77 8.01 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.01 125.75 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 124.016 0.926 . . . . 0.0 110.265 -173.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.0 tp -79.63 87.01 5.2 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 65.5 157.12 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.653 2.381 . . . . 0.0 113.345 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -91.89 168.23 11.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.66 -36.51 76.58 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -73.36 -56.48 5.01 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 110.633 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -156.6 137.1 13.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.67 1.188 . . . . 0.0 108.512 -169.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -86.19 35.27 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.109 1.364 . . . . 0.0 113.275 -165.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 174.96 139.89 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 127.262 2.225 . . . . 0.0 107.727 170.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.33 137.91 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.32 -48.31 82.28 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.88 -43.43 96.06 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.494 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.28 0.0 OUTLIER 74.67 -53.68 0.67 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.497 2.319 . . . . 0.0 111.046 -172.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 168.04 20.01 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.095 0.958 . . . . 0.0 110.997 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? 55.63 72.54 0.48 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.398 1.479 . . . . 0.0 110.257 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.1 96.39 0.2 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.126 0.971 . . . . 0.0 111.318 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.4 151.83 46.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 167.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.72 18.71 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.803 1.641 . . . . 0.0 114.19 -166.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.33 -50.34 0.68 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 126.039 1.736 . . . . 0.0 111.718 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -67.38 133.05 48.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 116.881 -1.533 . . . . 0.0 110.572 -167.341 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.88 147.03 47.97 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.579 1.152 . . . . 0.0 110.112 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -85.99 -170.56 3.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.879 0.872 . . . . 0.0 111.583 -171.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.326 0.5 OUTLIER 54.65 -177.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.285 2.634 . . . . 0.0 114.328 -176.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -48.57 124.14 7.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.133 1.373 . . . . 0.0 112.08 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 128.62 55.83 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.373 1.469 . . . . 0.0 107.39 176.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.96 -75.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 123.948 0.899 . . . . 0.0 109.393 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 153.75 20.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.548 1.139 . . . . 0.0 108.824 168.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 57.71 -179.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.36 1.464 . . . . 0.0 112.101 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -150.65 167.4 27.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.558 0.743 . . . . 0.0 109.838 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 38' ' ' ILE . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.13 -41.97 98.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.99 -69.75 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.122 1.769 . . . . 0.0 110.819 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -116.48 130.57 56.83 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.5 -14.49 58.85 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.058 0.943 . . . . 0.0 112.076 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -153.05 128.13 9.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.605 1.562 . . . . 0.0 107.061 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 30' ' ' GLU . 4.2 mp -70.48 154.41 41.91 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.204 0.456 . . . . 0.0 110.364 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 38' ' ' ILE . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -65.48 -42.76 91.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.96 -59.64 4.24 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.928 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.58 44.82 0.35 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.382 0.537 . . . . 0.0 112.407 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.35 -105.42 0.27 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.396 1.078 . . . . 0.0 110.169 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.248 1.019 . . . . 0.0 108.29 166.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.28 53.76 0.75 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.899 1.28 . . . . 0.0 108.201 171.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -160.14 113.9 2.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 122.911 0.484 . . . . 0.0 109.803 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.03 -165.9 1.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.548 1.139 . . . . 0.0 110.403 175.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 159.71 13.91 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 0.0 111.352 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -149.59 53.53 0.94 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.277 1.031 . . . . 0.0 108.402 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.077 -178.155 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 65.27 169.49 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 112.18 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.37 -168.71 2.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.017 1.327 . . . . 0.0 108.384 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 pttt 55.71 5.97 0.17 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.311 2.244 . . . . 0.0 116.575 170.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? 60.34 -167.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.543 1.537 . . . . 0.0 111.82 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 61.42 84.46 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.978 1.711 . . . . 0.0 110.931 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.39 -64.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.558 1.543 . . . . 0.0 110.06 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -136.72 170.64 15.74 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.995 1.318 . . . . 0.0 109.069 170.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -110.37 154.33 23.7 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.019 1.327 . . . . 0.0 109.245 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -81.15 172.7 13.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.139 0.576 . . . . 0.0 110.979 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -85.93 33.63 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -146.24 -60.98 0.31 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.298 1.439 . . . . 0.0 108.42 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -108.43 149.67 28.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.644 1.577 . . . . 0.0 109.133 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.0 46.74 1.22 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.917 1.287 . . . . 0.0 111.236 -171.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 79.09 141.32 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.871 2.069 . . . . 0.0 110.693 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.25 145.89 54.58 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.737 0.415 . . . . 0.0 111.447 -170.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' HIS . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -81.91 -54.71 5.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -30.53 58.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 112.428 -167.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 73.42 169.32 0.31 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.248 1.819 . . . . 0.0 109.877 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.61 -71.45 0.37 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -156.63 45.36 0.41 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.339 1.056 . . . . 0.0 108.348 167.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.47 63.76 7.19 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.96 1.304 . . . . 0.0 108.814 -168.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? 71.98 -1.53 2.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.272 1.429 . . . . 0.0 112.054 -171.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.47 56.93 4.03 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.01 0.924 . . . . 0.0 109.325 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.1 176.19 2.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.634 1.974 . . . . 0.0 108.174 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.15 68.8 4.26 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 175.277 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 60.95 176.09 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 62.44 -167.37 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.207 1.003 . . . . 0.0 109.784 -167.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 50.32 -101.79 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.032 1.333 . . . . 0.0 110.425 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -153.15 51.84 0.73 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.129 0.571 . . . . 0.0 110.181 172.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.23 66.62 3.47 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 169.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.12 -72.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.676 1.19 . . . . 0.0 110.444 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.58 156.25 7.9 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.633 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.412 ' H ' HD13 ' A' ' 7' ' ' LEU . 66.8 m-85 64.49 165.82 0.15 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.593 2.357 . . . . 0.0 112.988 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p -112.01 166.57 11.11 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.607 1.163 . . . . 0.0 109.898 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -82.14 16.61 1.89 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.3 -76.02 0.43 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.894 0.878 . . . . 0.0 112.279 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -169.88 151.09 4.03 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -151.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? 69.51 -45.08 0.56 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.139 3.376 . . . . 0.0 113.373 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 58.49 58.79 3.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.729 1.612 . . . . 0.0 109.06 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp 21.54 107.34 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 130.373 3.469 . . . . 0.0 114.532 -163.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -73.33 -26.71 61.15 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -73.48 0.13 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -176.82 -46.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.135 0.974 . . . . 0.0 110.651 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 127.91 25.71 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.083 0.953 . . . . 0.0 112.938 -163.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -65.8 -49.7 67.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.584 1.154 . . . . 0.0 110.894 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -131.09 34.94 3.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.369 1.068 . . . . 0.0 110.632 -173.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tptp 70.65 -58.3 0.56 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.924 2.09 . . . . 0.0 110.404 -171.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -172.55 3.27 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 156.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.78 -55.88 9.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -144.23 -68.45 0.32 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.663 1.185 . . . . 0.0 108.256 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 C-N-CA 128.861 2.864 . . . . 0.0 112.81 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 119.049 -0.501 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 50.85 50.28 19.36 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.135 1.374 . . . . 0.0 111.536 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 58.93 20.86 8.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.987 1.315 . . . . 0.0 112.982 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -142.57 -170.04 3.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.424 1.489 . . . . 0.0 108.83 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 64.63 71.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.323 1.449 . . . . 0.0 111.03 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -143.35 90.24 2.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.421 1.488 . . . . 0.0 107.663 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.4 t -72.83 -66.23 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.528 1.131 . . . . 0.0 110.481 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 tp -84.38 107.44 16.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 61.88 150.37 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.094 2.558 . . . . 0.0 113.271 -167.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p -171.32 177.68 3.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.845 2.058 . . . . 0.0 107.4 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -42.89 94.11 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 -73.41 0.38 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.466 1.106 . . . . 0.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -107.4 121.16 44.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.455 1.502 . . . . 0.0 108.071 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -77.69 12.81 1.51 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -165.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -158.65 154.0 25.74 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 126.49 1.916 . . . . 0.0 107.977 171.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.24 123.84 27.8 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 156.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -73.24 -51.03 19.19 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -51.78 -53.16 42.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.768 2.027 . . . . 0.0 111.542 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -56.92 -55.44 34.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -157.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 62.43 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.557 1.543 . . . . 0.0 110.841 -169.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -145.92 61.6 1.25 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.971 1.308 . . . . 0.0 110.364 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.23 137.84 57.25 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 167.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.26 61.9 2.55 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.8 1.24 . . . . 0.0 109.925 -172.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 -56.88 14.13 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.061 0.944 . . . . 0.0 110.767 -174.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 127.78 34.06 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -53.13 -54.26 38.35 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.447 1.099 . . . . 0.0 111.089 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.512 172.426 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -84.51 59.68 5.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.603 0.761 . . . . 0.0 109.734 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -170.23 70.98 0.06 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.022 1.329 . . . . 0.0 108.984 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -63.12 163.26 10.35 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.585 0.754 . . . . 0.0 111.716 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp85 -62.16 119.98 10.02 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 166.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 61.4 74.63 0.44 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.812 1.245 . . . . 0.0 110.887 -171.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.3 t -55.69 -61.31 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 124.613 1.165 . . . . 0.0 108.508 167.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -56.49 114.98 2.25 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 166.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.91 136.01 35.29 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.906 1.282 . . . . 0.0 111.645 -163.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -87.25 172.92 9.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 -171.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -58.56 -27.98 65.08 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -96.31 -67.36 0.85 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.729 1.212 . . . . 0.0 109.463 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -105.73 117.8 34.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.028 1.331 . . . . 0.0 108.239 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -84.23 -1.39 55.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.688 1.195 . . . . 0.0 113.838 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -166.41 127.39 1.72 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.313 1.845 . . . . 0.0 107.741 169.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.96 140.97 44.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 38' ' ' ILE . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.3 -44.52 96.33 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -71.76 -43.07 66.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.746 0.818 . . . . 0.0 110.994 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -146.43 79.8 1.54 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.131 0.972 . . . . 0.0 110.421 -169.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.08 70.84 2.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.45 1.1 . . . . 0.0 109.75 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -159.22 -29.95 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.674 1.19 . . . . 0.0 111.922 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 82.5 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.415 1.486 . . . . 0.0 110.356 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? 59.11 59.27 2.81 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.14 1.376 . . . . 0.0 109.183 -174.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.23 -64.42 1.14 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.516 0.726 . . . . 0.0 110.963 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.17 131.75 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.624 0.769 . . . . 0.0 110.327 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 59.45 54.96 4.37 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.148 1.379 . . . . 0.0 111.758 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.979 1.312 . . . . 0.0 109.601 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 65.24 175.6 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.492 1.517 . . . . 0.0 112.14 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 149.53 48.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.023 0.529 . . . . 0.0 112.328 -173.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm 63.76 168.92 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.567 1.947 . . . . 0.0 113.915 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -172.06 -47.73 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.523 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -44.0 120.93 2.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.518 1.527 . . . . 0.0 113.601 -171.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.96 -55.21 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.949 1.7 . . . . 0.0 109.576 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.57 143.06 54.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.326 0.651 . . . . 0.0 110.297 172.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 24.9 m-85 -125.98 170.69 11.45 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.85 1.26 . . . . 0.0 110.882 -169.122 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -89.24 167.78 12.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.537 0.735 . . . . 0.0 110.04 173.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.12 -37.5 80.22 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.19 -54.48 6.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.573 1.149 . . . . 0.0 109.527 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -150.02 136.1 18.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.977 1.311 . . . . 0.0 108.744 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.61 40.2 0.78 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.54 0.736 . . . . 0.0 111.55 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -142.81 150.78 40.4 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.029 1.331 . . . . 0.0 110.118 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.72 143.81 48.57 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 155.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -68.85 -39.69 79.77 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -74.81 -52.53 11.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.155 0.982 . . . . 0.0 111.837 -173.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -56.66 132.85 53.05 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.64 0.376 . . . . 0.0 111.431 -170.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 78.39 -45.16 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.706 2.002 . . . . 0.0 111.54 -174.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -82.34 47.35 1.14 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.196 0.998 . . . . 0.0 109.406 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -77.67 13.61 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -165.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -61.14 -35.74 77.91 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.759 -0.588 . . . . 0.0 109.512 155.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.51 78.89 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.41 0.684 . . . . 0.0 111.363 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.53 78.73 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.101 0.56 . . . . 0.0 110.642 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -62.47 -62.13 1.96 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.248 1.019 . . . . 0.0 110.648 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.13 1.772 . . . . 0.0 108.179 175.287 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.76 87.43 0.7 Allowed 'General case' 0 C--N 1.342 0.249 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 60.94 -150.12 0.41 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.277 1.031 . . . . 0.0 109.18 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -82.78 -49.11 10.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.006 0.522 . . . . 0.0 110.029 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? 35.38 73.37 0.08 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 127.52 2.328 . . . . 0.0 112.021 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? 64.43 87.08 0.12 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.613 1.165 . . . . 0.0 109.684 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t -48.68 135.15 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.36 1.464 . . . . 0.0 111.299 -170.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.16 166.95 31.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.522 1.129 . . . . 0.0 109.428 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.72 -72.68 0.35 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.108 0.963 . . . . 0.0 111.011 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -144.09 167.13 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.233 1.813 . . . . 0.0 108.484 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.75 -56.62 12.48 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.75 -43.96 97.32 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.502 1.121 . . . . 0.0 112.251 -172.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.8 144.98 30.62 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.813 0.845 . . . . 0.0 109.491 168.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -61.4 -46.94 88.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 111.814 -169.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -136.33 142.47 43.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.782 1.233 . . . . 0.0 109.876 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.79 139.41 33.57 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.279 1.032 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 38' ' ' ILE . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -78.7 -33.86 46.55 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.38 -49.83 73.96 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.35 -41.53 80.25 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.688 0.795 . . . . 0.0 110.403 171.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 92.32 88.58 0.01 OUTLIER 'General case' 0 C--N 1.343 0.298 0 C-N-CA 128.521 2.728 . . . . 0.0 110.022 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 21.87 1.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.497 1.119 . . . . 0.0 112.139 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.79 16.09 9.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.529 0.732 . . . . 0.0 110.649 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -57.54 -24.78 58.03 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.003 1.321 . . . . 0.0 113.673 -170.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.804 0.842 . . . . 0.0 112.288 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.1 -60.71 1.85 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.519 1.128 . . . . 0.0 110.81 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -95.0 -173.05 2.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.352 1.461 . . . . 0.0 109.19 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.876 2.07 . . . . 0.0 114.157 168.142 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -78.29 73.17 4.85 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.131 0.972 . . . . 0.0 110.143 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -152.97 103.79 2.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm 42.97 42.47 3.13 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.215 1.806 . . . . 0.0 113.075 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -67.91 157.83 34.06 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.431 0.692 . . . . 0.0 111.213 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -149.36 132.85 16.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.492 1.117 . . . . 0.0 109.565 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.51 -69.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -83.94 164.17 19.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.418 1.087 . . . . 0.0 110.664 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -137.78 150.12 46.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.72 1.208 . . . . 0.0 109.376 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -94.09 176.58 6.27 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.485 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.55 -45.18 72.83 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -75.78 -61.14 2.02 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.911 1.284 . . . . 0.0 112.123 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.37 97.23 2.62 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.09 1.756 . . . . 0.0 106.913 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -61.22 2.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.531 0.733 . . . . 0.0 109.742 -171.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -76.11 98.53 4.38 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.85 123.94 22.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 40' ' ' LEU . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 38' ' ' ILE . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -37.8 65.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -70.02 -67.28 0.5 Allowed 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.007 0.523 . . . . 0.0 110.317 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -168.72 111.96 0.56 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.933 0.893 . . . . 0.0 108.927 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.3 139.26 37.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.736 1.215 . . . . 0.0 108.942 173.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -141.3 84.77 1.93 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.41 1.484 . . . . 0.0 107.472 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.4 -32.48 71.37 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.961 1.304 . . . . 0.0 112.644 -171.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? 71.05 89.22 0.1 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.948 1.699 . . . . 0.0 109.772 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.48 137.91 50.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.229 0.612 . . . . 0.0 110.1 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.12 -74.14 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 125.121 1.368 . . . . 0.0 107.883 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -34.85 22.43 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.271 1.028 . . . . 0.0 109.778 164.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.478 1.511 . . . . 0.0 109.708 168.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -80.5 69.69 7.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.215 1.006 . . . . 0.0 109.99 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.38 19.99 0.64 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.966 0.906 . . . . 0.0 112.64 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -72.22 -46.45 56.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.593 0.757 . . . . 0.0 110.025 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 68.51 -73.54 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.901 2.08 . . . . 0.0 111.016 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -81.72 68.49 8.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.125 0.97 . . . . 0.0 109.188 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.77 -67.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.894 1.677 . . . . 0.0 108.931 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.8 tp -145.72 92.17 2.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 172.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 59.26 178.76 0.08 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.073 1.749 . . . . 0.0 112.393 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -152.82 165.14 36.34 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 124.383 1.073 . . . . 0.0 108.897 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -5.79 46.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -104.21 -62.51 1.31 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.619 1.568 . . . . 0.0 109.123 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -70.04 159.57 33.58 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.183 0.993 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -81.62 -59.04 2.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 160.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -151.94 132.43 13.83 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.317 1.447 . . . . 0.0 108.778 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -69.11 132.67 46.95 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -73.81 -37.85 64.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -65.02 -59.92 3.61 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.523 0.729 . . . . 0.0 109.299 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.14 61.91 0.73 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.436 1.894 . . . . 0.0 113.419 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.69 84.37 0.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.976 0.911 . . . . 0.0 110.236 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 72.18 115.61 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.866 2.066 . . . . 0.0 109.971 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.32 60.88 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.757 1.223 . . . . 0.0 110.376 -173.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.33 74.29 7.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.802 0.841 . . . . 0.0 110.921 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.61 98.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.158 0.583 . . . . 0.0 109.64 165.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.98 179.8 4.15 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.471 1.508 . . . . 0.0 110.212 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.73 -7.29 1.45 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.573 1.149 . . . . 0.0 112.833 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.257 -172.765 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? . . . . . 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp . . . . . 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm . . . . . 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? . . . . . 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.5 mp . . . . . 0 CA--C 1.535 0.398 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp . . . . . 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 107.403 -1.332 . . . . 0.0 107.403 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt . . . . . 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 C--O 1.233 0.199 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 38' ' ' ILE . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm . . . . . 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 N--CA 1.455 -0.212 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? . . . . . 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 CA--C 1.532 0.275 0 CA-C-O 120.81 0.338 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.456 -0.171 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 38' ' ' ILE . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? . . . . . 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p . . . . . 0 CA--C 1.531 0.248 0 CA-C-O 120.974 0.416 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? . . . . . 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p . . . . . 0 N--CA 1.456 -0.137 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp . . . . . 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 CA--C 1.522 -0.122 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 38' ' ' ILE . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p . . . . . 0 N--CA 1.455 -0.206 0 CA-C-O 121.46 0.648 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? . . . . . 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp . . . . . 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p . . . . . 0 CA--C 1.53 0.183 0 N-CA-C 109.838 -0.43 . . . . 0.0 109.838 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 38' ' ' ILE . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm . . . . . 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 30' ' ' GLU . 4.2 mp . . . . . 0 CA--C 1.531 0.219 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 38' ' ' ILE . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm . . . . . 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 CA--C 1.531 0.236 0 CA-C-O 120.778 0.323 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.714 0.292 . . . . 0.0 111.447 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' HIS . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp . . . . . 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 114.532 1.308 . . . . 0.0 114.532 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? . . . . . 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp . . . . . 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 38' ' ' ILE . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp . . . . . 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p . . . . . 0 CA--C 1.532 0.263 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp . . . . . 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.231 0.13 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.455 -0.184 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? . . . . . 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 38' ' ' ILE . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? . . . . . 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p . . . . . 0 CA--C 1.53 0.177 0 CA-C-O 120.765 0.317 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 40' ' ' LEU . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 38' ' ' ILE . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 CA--C 1.529 0.165 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.4 tpp . . . . . 0 N--CA 1.474 0.768 0 CA-C-O 119.559 -0.258 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -151.58 169.32 22.41 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.269 1.028 . . . . 0.0 108.547 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 37.6 mtm105 59.2 36.31 23.8 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.109 1.364 . . . . 0.0 110.704 -165.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -145.8 161.05 40.84 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 126.387 1.875 . . . . 0.0 107.648 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.9 ttm105 -80.14 69.61 6.58 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.302 0.641 . . . . 0.0 109.665 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.0 mmt-85 -145.1 63.66 1.28 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 126.246 1.818 . . . . 0.0 107.241 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.49 -71.25 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.521 0 C-N-CA 123.982 0.913 . . . . 0.0 108.684 -177.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 81.4 mt -93.09 120.31 33.24 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.263 1.025 . . . . 0.0 108.264 173.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 60.73 175.65 0.1 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.363 1.865 . . . . 0.0 113.561 174.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.8 p -165.06 174.84 9.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.526 1.531 . . . . 0.0 108.392 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -57.3 -50.29 73.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 123.873 0.869 . . . . 0.0 109.735 175.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.71 84.83 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.083 0.953 . . . . 0.0 111.475 178.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -64.21 -48.54 75.49 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.703 0.401 . . . . 0.0 111.445 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 80.3 t -62.37 -37.86 79.76 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 CA-C-O 118.629 -0.7 . . . . 0.0 110.329 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -54.82 -54.47 41.83 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 118.984 0.811 . . . . 0.0 111.288 175.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -63.54 -35.38 80.3 Favored 'General case' 0 C--N 1.343 0.284 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -65.17 -47.97 75.13 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.055 0.542 . . . . 0.0 111.59 177.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -58.72 -50.47 73.79 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.578 1.151 . . . . 0.0 111.108 174.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -52.18 -46.64 65.62 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.911 0.885 . . . . 0.0 110.288 175.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.2 tpt180 -63.59 -48.8 75.93 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-O 119.076 -0.488 . . . . 0.0 110.332 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -55.28 -39.12 69.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.423 1.089 . . . . 0.0 112.061 179.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -67.13 -47.87 69.81 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.528 0.731 . . . . 0.0 110.432 176.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -66.87 -65.26 0.7 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.181 1.392 . . . . 0.0 111.037 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -114.42 119.37 36.68 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 127.078 2.151 . . . . 0.0 107.174 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 tptp -50.71 -56.86 10.01 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.842 0.857 . . . . 0.0 112.04 -171.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -138.38 141.92 39.63 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 124.997 1.319 . . . . 0.0 109.043 176.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.8 mp -77.93 142.75 38.19 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.4 p -76.49 178.01 6.96 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.922 0.889 . . . . 0.0 110.384 -178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.78 -48.72 86.72 Favored Pre-proline 0 CA--C 1.538 0.505 0 N-CA-C 114.376 1.251 . . . . 0.0 114.376 -178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.33 -41.31 0.63 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 121.563 1.509 . . . . 0.0 110.976 176.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -69.85 -33.01 71.71 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.287 0.635 . . . . 0.0 112.424 -169.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.5 ptt180 -60.85 -39.19 88.19 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.922 0.783 . . . . 0.0 110.467 175.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -73.31 -35.61 66.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 125.229 1.412 . . . . 0.0 109.663 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.19 -47.69 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.163 0.585 . . . . 0.0 110.413 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 tt -60.1 -47.5 85.62 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 124.19 0.996 . . . . 0.0 109.962 173.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -57.68 -39.28 76.78 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.396 0.544 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 38.3 t -68.94 -52.55 28.07 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 123.472 0.709 . . . . 0.0 111.016 173.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.9 ttm -59.95 -62.3 1.98 Allowed 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 125.202 1.401 . . . . 0.0 111.688 -172.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 3.4 pt -72.75 -46.02 54.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.069 0.547 . . . . 0.0 109.947 -172.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 80.1 m80 109.72 98.26 0.0 OUTLIER 'General case' 0 C--O 1.228 -0.074 0 C-N-CA 131.057 3.743 . . . . 0.0 111.291 169.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -164.88 -173.74 3.07 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 129.564 3.146 . . . . 0.0 107.024 -178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.0 p -103.93 150.54 38.35 Favored Pre-proline 0 C--N 1.341 0.21 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 171.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -59.98 -27.52 85.09 Favored 'Trans proline' 0 N--CA 1.455 -0.757 0 C-N-CA 122.417 2.078 . . . . 0.0 112.104 178.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.4 m -69.06 -53.4 20.61 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.138 0.975 . . . . 0.0 110.707 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -59.78 -45.26 92.82 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 123.615 0.766 . . . . 0.0 110.482 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.6 t -49.96 -60.7 0.74 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 C-N-CA 124.132 0.973 . . . . 0.0 110.977 169.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -55.59 -42.23 74.52 Favored 'General case' 0 C--O 1.225 -0.188 0 C-N-CA 123.33 0.652 . . . . 0.0 111.482 -176.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 61.8 mt -58.77 -49.82 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 C-N-CA 124.0 0.92 . . . . 0.0 110.324 177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.8 t90 -55.95 -46.57 78.52 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-N 118.479 0.582 . . . . 0.0 110.772 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -65.35 -30.11 70.9 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.119 1.368 . . . . 0.0 111.955 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.12 -49.37 51.46 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 124.953 1.301 . . . . 0.0 110.357 170.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -59.21 -38.25 79.47 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.788 0.835 . . . . 0.0 111.261 -174.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 25.0 m80 -74.24 -37.72 63.7 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 118.839 -0.601 . . . . 0.0 112.31 -177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -70.63 -36.74 73.61 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 119.219 0.918 . . . . 0.0 111.033 173.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.6 t80 -61.96 -41.36 97.9 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.582 0.753 . . . . 0.0 111.254 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 28.5 tptp -53.87 -50.04 67.18 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.429 0.692 . . . . 0.0 111.181 176.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.8 mtm -62.68 -35.32 79.28 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 123.651 0.781 . . . . 0.0 111.549 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 ttmm -65.98 -55.47 16.61 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 122.572 0.349 . . . . 0.0 110.115 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -57.14 -37.71 72.42 Favored 'General case' 0 CA--C 1.529 0.155 0 C-N-CA 124.907 1.283 . . . . 0.0 112.081 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -58.4 113.76 2.12 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 67.53 67.48 0.38 Allowed 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.58 1.552 . . . . 0.0 110.682 -168.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . 0.252 19.7 ptpt 57.51 149.51 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 129.739 3.216 . . . . 0.0 115.308 178.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -73.27 73.51 1.3 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.387 1.475 . . . . 0.0 110.646 -177.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.4 pttm -76.78 68.48 3.01 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 125.37 1.468 . . . . 0.0 110.947 178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -91.4 -114.19 0.08 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.429 1.492 . . . . 0.0 107.991 172.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.43 63.81 5.9 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -106.31 90.05 3.23 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.359 1.464 . . . . 0.0 108.367 -173.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.252 1.226 0 CA-C-O 117.34 -1.314 . . . . 0.0 109.602 -176.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 78.2 mtm . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 120.027 -0.035 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -81.45 63.31 5.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.12 0.968 . . . . 0.0 109.6 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.5 90.15 0.71 Allowed 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.12 157.4 13.45 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.675 0.79 . . . . 0.0 110.447 175.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -138.25 -71.97 0.41 Allowed 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.895 -1.52 . . . . 0.0 106.895 171.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -97.31 136.68 37.44 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 167.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.4 t -66.77 -72.43 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 C-N-CA 123.824 0.85 . . . . 0.0 109.103 -175.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -159.71 50.87 0.33 Allowed 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.709 1.204 . . . . 0.0 108.742 165.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -139.99 160.86 38.96 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.06 0.944 . . . . 0.0 111.43 -169.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 82.6 p -92.81 176.24 6.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.024 1.33 . . . . 0.0 110.06 172.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.9 mp0 -61.3 -46.3 90.88 Favored 'General case' 0 N--CA 1.447 -0.613 0 C-N-CA 124.576 1.15 . . . . 0.0 110.173 176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.65 94.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.274 1.03 . . . . 0.0 112.009 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -55.67 -61.56 2.28 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.72 0.808 . . . . 0.0 110.483 178.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.56 -35.31 72.16 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.261 0 C-N-CA 123.713 0.805 . . . . 0.0 110.404 -177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 59.2 t80 -53.72 -54.27 40.41 Favored 'General case' 0 C--O 1.226 -0.171 0 CA-C-O 118.873 -0.584 . . . . 0.0 110.434 174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -62.18 -43.73 98.17 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 118.564 0.62 . . . . 0.0 111.95 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.0 mt -59.89 -51.66 68.74 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.266 0.626 . . . . 0.0 110.995 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -64.53 -45.45 87.15 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 125.075 1.35 . . . . 0.0 112.22 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -51.07 -46.29 61.7 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.066 1.346 . . . . 0.0 110.912 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.98 -49.8 66.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.438 0.695 . . . . 0.0 110.35 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -55.62 -35.62 66.08 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.447 1.099 . . . . 0.0 113.169 -178.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.89 -45.78 60.23 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.463 1.105 . . . . 0.0 110.557 177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -87.44 -72.13 0.53 Allowed 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.153 1.381 . . . . 0.0 110.253 -178.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 20.0 tt0 -110.24 125.78 53.45 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.275 1.43 . . . . 0.0 108.828 -170.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.7 mmtt -81.21 23.3 0.6 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.72 0.808 . . . . 0.0 112.535 -172.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -165.96 169.74 14.41 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.303 2.241 . . . . 0.0 107.356 178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.0 mp -111.72 140.0 46.72 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 106.98 -1.489 . . . . 0.0 106.98 151.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.3 p -72.69 177.65 4.63 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.186 0.994 . . . . 0.0 110.461 179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.05 -49.04 71.36 Favored Pre-proline 0 CA--C 1.542 0.659 0 N-CA-C 115.085 1.513 . . . . 0.0 115.085 -174.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -76.08 -43.81 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.637 0 CA-C-N 121.315 1.505 . . . . 0.0 110.803 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -58.75 -42.15 88.18 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.684 1.594 . . . . 0.0 112.517 -175.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 ppp_? -67.25 -39.7 86.18 Favored 'General case' 0 C--N 1.338 0.104 0 C-N-CA 123.252 0.621 . . . . 0.0 110.566 -177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -67.77 -44.49 77.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.884 0.874 . . . . 0.0 109.544 176.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.8 t60 -56.63 -53.45 57.49 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.722 0.809 . . . . 0.0 110.786 177.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.1 tt -57.05 -49.33 76.18 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 123.871 0.868 . . . . 0.0 110.367 176.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.0 71.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.173 0.442 . . . . 0.0 112.049 -176.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 t -74.36 -54.48 7.54 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 123.441 0.696 . . . . 0.0 110.192 174.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 95.5 mmm -67.22 -60.29 2.73 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.256 1.022 . . . . 0.0 112.011 -171.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 1.6 pt -72.31 -53.66 18.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -172.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.28 75.1 m80 123.76 104.08 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 131.277 3.831 . . . . 0.0 112.169 163.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.7 mp -154.53 -172.7 4.3 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 129.087 2.955 . . . . 0.0 107.496 175.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.1 p -101.11 153.09 37.96 Favored Pre-proline 0 CA--C 1.534 0.338 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 160.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -54.03 -32.87 70.74 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 123.062 2.508 . . . . 0.0 112.289 176.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.8 m -69.25 -52.8 24.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.491 1.117 . . . . 0.0 111.076 176.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -60.02 -40.86 90.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.364 0.666 . . . . 0.0 111.201 -177.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -48.84 -63.44 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.372 0 C-N-CA 122.638 0.375 . . . . 0.0 110.081 167.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.42 -37.39 70.14 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 118.284 -0.865 . . . . 0.0 112.163 -174.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.75 -54.67 32.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 118.97 0.805 . . . . 0.0 110.439 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -51.82 -47.05 64.48 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.415 0.686 . . . . 0.0 110.128 177.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -61.69 -49.94 74.46 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.455 1.102 . . . . 0.0 112.654 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -53.51 -45.88 69.86 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 125.195 1.398 . . . . 0.0 111.0 176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -66.44 -43.77 84.71 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 123.619 0.768 . . . . 0.0 111.184 -176.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -68.18 -43.48 78.06 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 118.258 0.481 . . . . 0.0 110.715 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 79.5 ttt-85 -58.07 -45.71 86.67 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.719 1.208 . . . . 0.0 110.752 175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -57.82 -50.05 74.59 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.321 0.648 . . . . 0.0 110.548 174.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -58.35 -52.25 66.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.415 0.686 . . . . 0.0 111.79 -172.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.64 -34.29 75.47 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.894 0.478 . . . . 0.0 112.212 -178.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -65.64 -48.49 72.02 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.241 0.617 . . . . 0.0 109.972 177.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 49.2 tpt85 -57.45 -43.44 83.96 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.157 0.983 . . . . 0.0 110.117 173.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 72.21 93.1 0.08 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.726 1.61 . . . . 0.0 110.186 175.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.29 98.04 7.8 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.617 1.167 . . . . 0.0 108.847 174.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? 60.34 -82.16 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 126.387 1.875 . . . . 0.0 112.207 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -112.87 47.8 1.07 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 126.91 2.084 . . . . 0.0 107.529 -175.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm 75.25 -63.68 0.4 Allowed 'General case' 0 C--N 1.34 0.187 0 C-N-CA 127.25 2.22 . . . . 0.0 110.783 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -123.95 48.02 1.96 Allowed 'General case' 0 C--N 1.339 0.151 0 C-N-CA 124.383 1.073 . . . . 0.0 111.104 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.79 -47.86 0.63 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 126.956 2.103 . . . . 0.0 111.641 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -138.97 179.01 6.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.071 2.148 . . . . 0.0 106.727 169.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 . . . . . 0 C--O 1.25 1.113 0 C-N-CA 125.474 1.51 . . . . 0.0 110.399 -178.412 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -140.65 163.64 32.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.182 1.393 . . . . 0.0 108.526 176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -157.87 164.01 37.37 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.285 1.034 . . . . 0.0 108.408 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -50.34 -43.12 53.86 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 112.995 -176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 160.69 -62.32 0.0 OUTLIER 'General case' 0 C--N 1.342 0.252 0 C-N-CA 128.977 2.911 . . . . 0.0 106.938 175.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 -147.17 136.7 22.82 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.549 1.14 . . . . 0.0 108.261 172.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.3 t -71.42 -68.01 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 169.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 32.0 tp -155.77 171.6 19.74 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.78 1.632 . . . . 0.0 107.437 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -52.52 135.6 33.73 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.059 0.544 . . . . 0.0 109.646 172.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 95.6 p -102.07 168.85 9.12 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.291 1.036 . . . . 0.0 110.302 -175.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -53.7 -45.95 70.56 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.626 1.17 . . . . 0.0 111.351 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.47 -50.64 73.01 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.062 0.945 . . . . 0.0 111.306 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -60.06 -53.57 56.18 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.267 0.627 . . . . 0.0 110.755 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 88.4 t -62.41 -38.07 80.33 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.354 0 C-N-CA 124.114 0.966 . . . . 0.0 110.72 -177.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -53.29 -51.35 62.58 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 118.762 0.71 . . . . 0.0 111.124 176.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.7 mm-40 -60.91 -49.58 76.89 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.865 0.466 . . . . 0.0 110.901 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.25 -48.42 81.68 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.14 0.976 . . . . 0.0 111.657 -175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.8 mt-10 -59.72 -50.28 74.45 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.233 1.413 . . . . 0.0 111.483 175.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttp-105 -56.63 -40.75 75.92 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 117.523 0.147 . . . . 0.0 110.642 -179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -66.91 -47.7 70.92 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.511 0.725 . . . . 0.0 110.849 175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.6 t80 -52.81 -39.79 62.72 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 125.795 1.638 . . . . 0.0 113.384 -176.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -47.48 -47.78 27.27 Favored 'General case' 0 CA--C 1.529 0.151 0 C-N-CA 123.463 0.705 . . . . 0.0 111.172 176.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -86.94 -66.33 0.92 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 124.898 1.279 . . . . 0.0 110.669 -178.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -103.07 105.39 15.7 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 124.784 1.234 . . . . 0.0 110.16 -176.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -70.15 -16.3 63.07 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.538 0.735 . . . . 0.0 111.33 174.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -151.8 141.48 21.82 Favored 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.919 1.288 . . . . 0.0 110.307 161.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 26' ' ' LEU . 6.5 mp -84.98 154.22 22.28 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.587 1.555 . . . . 0.0 108.454 172.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.6 p -75.15 175.69 8.02 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 122.983 0.513 . . . . 0.0 110.454 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.43 -53.08 53.55 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 -175.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.83 -39.83 1.17 Allowed 'Trans proline' 0 N--CA 1.459 -0.515 0 CA-C-N 121.405 1.538 . . . . 0.0 110.513 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -39.27 90.92 Favored 'General case' 0 N--CA 1.448 -0.547 0 C-N-CA 126.327 1.851 . . . . 0.0 111.965 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.5 ptt-85 -64.27 -37.47 87.58 Favored 'General case' 0 C--N 1.342 0.249 0 CA-C-N 118.338 0.517 . . . . 0.0 110.823 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -73.66 -37.99 65.11 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 109.915 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -58.45 -49.38 77.5 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 119.38 -0.343 . . . . 0.0 110.352 172.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.76 -53.03 60.36 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 118.261 -0.876 . . . . 0.0 109.177 172.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.86 -40.94 57.43 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.002 0.819 . . . . 0.0 111.753 -176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 30.4 t -66.99 -54.56 20.6 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.547 0.739 . . . . 0.0 111.238 174.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.3 mmm -59.72 -57.94 10.75 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.306 1.043 . . . . 0.0 112.197 -174.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.1 pt -65.5 -47.66 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 C-N-CA 122.975 0.51 . . . . 0.0 109.896 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 100.08 95.89 0.01 OUTLIER 'General case' 0 C--O 1.227 -0.084 0 C-N-CA 130.899 3.68 . . . . 0.0 111.139 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.4 mt -167.72 -177.4 3.47 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 129.134 2.974 . . . . 0.0 107.499 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 73.4 p -100.02 154.79 37.05 Favored Pre-proline 0 CA--C 1.531 0.249 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 170.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -56.39 -25.3 56.6 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 122.528 2.152 . . . . 0.0 112.463 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.0 m -70.1 -59.27 3.0 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.219 1.008 . . . . 0.0 110.836 175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -54.53 -46.64 73.62 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 123.172 0.589 . . . . 0.0 110.281 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -47.13 -65.85 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 124.276 1.03 . . . . 0.0 111.023 169.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -57.77 -39.89 78.51 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 118.604 -0.712 . . . . 0.0 112.263 -172.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -61.52 -51.28 74.78 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.21 0 C-N-CA 124.08 0.952 . . . . 0.0 110.287 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 40.4 t90 -53.56 -48.18 69.37 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.939 0.495 . . . . 0.0 110.313 176.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -61.92 -42.01 98.61 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.765 1.226 . . . . 0.0 111.573 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.77 -53.36 58.64 Favored 'General case' 0 N--CA 1.449 -0.517 0 C-N-CA 124.853 1.261 . . . . 0.0 110.09 174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -60.69 -39.41 88.41 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 124.176 0.99 . . . . 0.0 111.172 -174.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -74.28 -40.65 62.17 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 117.894 0.316 . . . . 0.0 111.065 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 70.1 ttt-85 -62.2 -30.09 70.83 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.416 0.686 . . . . 0.0 111.599 175.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -70.77 -54.03 13.23 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.168 0.587 . . . . 0.0 110.119 170.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.1 tptp -59.64 -44.69 93.42 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.287 0.635 . . . . 0.0 112.087 -170.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -31.3 60.93 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 123.323 0.649 . . . . 0.0 112.599 -177.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -75.09 -57.19 4.05 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 170.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.33 56.89 3.73 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.831 1.252 . . . . 0.0 109.946 -176.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 -128.82 -38.52 1.67 Allowed 'General case' 0 C--N 1.342 0.246 0 C-N-CA 125.33 1.452 . . . . 0.0 110.185 177.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.87 134.55 52.3 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 173.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.99 29.93 6.24 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.873 1.269 . . . . 0.0 111.794 -179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -79.88 74.68 6.61 Favored 'General case' 0 C--N 1.342 0.25 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 168.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? 75.01 -52.72 0.67 Allowed 'General case' 0 C--N 1.343 0.289 0 C-N-CA 126.073 1.749 . . . . 0.0 110.003 -168.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -149.47 -78.38 0.14 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.988 1.315 . . . . 0.0 107.75 164.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 61.95 -80.91 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 126.401 1.88 . . . . 0.0 112.347 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 71.24 40.36 0.86 Allowed 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 126.163 1.785 . . . . 0.0 111.684 -178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.3 mp0 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 117.018 -1.468 . . . . 0.0 108.907 168.54 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 42.0 ttp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 35.4 ttm105 -83.37 62.16 6.57 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.761 0.824 . . . . 0.0 110.093 -174.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 58.49 -149.17 0.46 Allowed 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.084 1.354 . . . . 0.0 110.257 -173.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm 71.16 99.39 0.06 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.645 1.578 . . . . 0.0 110.739 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.3 tpt180 54.25 42.49 31.46 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.847 1.259 . . . . 0.0 111.026 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.86 179.84 5.5 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.746 1.219 . . . . 0.0 111.017 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 56.2 t -63.76 165.49 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.652 0 C-N-CA 124.977 1.311 . . . . 0.0 108.978 174.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.8 mp -75.9 69.93 2.58 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 120.039 1.291 . . . . 0.0 111.316 -171.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -145.61 156.32 43.6 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.344 1.857 . . . . 0.0 108.798 177.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 76.4 p -169.21 179.45 3.96 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 126.194 1.798 . . . . 0.0 107.403 -169.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -59.59 -52.74 64.23 Favored 'General case' 0 N--CA 1.446 -0.636 0 C-N-CA 123.398 0.679 . . . . 0.0 109.407 173.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.03 74.42 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 124.157 0.983 . . . . 0.0 112.002 -179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -54.01 -58.05 8.75 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.405 0.682 . . . . 0.0 110.366 -178.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.8 t -67.41 -35.09 72.47 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 C-N-CA 123.198 0.599 . . . . 0.0 110.52 -175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -54.29 -51.47 64.5 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.606 0.639 . . . . 0.0 110.981 173.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -65.23 -39.58 92.91 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 122.663 0.385 . . . . 0.0 111.989 178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 33.3 mt -64.52 -45.87 85.34 Favored 'General case' 0 CA--C 1.532 0.272 0 O-C-N 122.001 -0.437 . . . . 0.0 111.149 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.3 mt-10 -60.84 -46.2 91.48 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.663 1.185 . . . . 0.0 111.631 173.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.4 ttm-85 -49.52 -48.88 47.84 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 122.838 0.455 . . . . 0.0 109.823 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -69.86 -38.09 76.31 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -60.1 -41.88 93.47 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.153 0.981 . . . . 0.0 111.176 176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 61.5 mtpt -70.09 -45.54 66.74 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.689 0.796 . . . . 0.0 111.09 177.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 16.7 tp60 -67.63 -51.93 44.27 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.651 1.18 . . . . 0.0 111.74 -174.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -127.47 154.01 45.61 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 125.334 1.454 . . . . 0.0 110.031 -169.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -69.81 -52.67 23.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 C-N-CA 125.462 1.505 . . . . 0.0 109.925 -172.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -153.23 154.95 35.7 Favored 'General case' 0 N--CA 1.463 0.213 0 C-N-CA 125.077 1.351 . . . . 0.0 108.643 166.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.1 mp -74.45 137.49 42.63 Favored 'General case' 0 C--N 1.342 0.242 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 165.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.9 p -77.85 171.02 15.61 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.087 0.955 . . . . 0.0 109.822 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -45.12 -55.56 11.04 Favored Pre-proline 0 CA--C 1.539 0.534 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -177.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -72.42 -43.45 1.01 Allowed 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 121.6 1.533 . . . . 0.0 110.899 -177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -61.88 -35.53 78.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.537 1.135 . . . . 0.0 111.726 -175.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.76 -30.12 40.66 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.624 0.77 . . . . 0.0 112.033 -176.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -66.29 -43.66 85.7 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 167.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.09 -51.79 65.27 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.794 0.838 . . . . 0.0 110.864 173.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.4 -53.62 55.25 Favored 'General case' 0 N--CA 1.451 -0.41 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.24 -39.05 59.77 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.607 0.763 . . . . 0.0 111.901 -177.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.34 -55.64 13.02 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.284 0.634 . . . . 0.0 111.138 174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.1 mmt -62.79 -56.6 16.04 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.009 0.924 . . . . 0.0 112.402 -172.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.401 HD13 HG21 ' A' ' 38' ' ' ILE . 7.6 pt -65.77 -49.64 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 N-CA-C 109.592 -0.522 . . . . 0.0 109.592 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.3 m80 107.5 103.39 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.139 0 C-N-CA 131.147 3.779 . . . . 0.0 110.131 173.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.6 mt -179.19 -174.44 0.33 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 130.901 3.681 . . . . 0.0 107.742 -167.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 62.6 p -113.85 152.06 45.29 Favored Pre-proline 0 CA--C 1.53 0.207 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 170.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -57.45 -32.66 94.7 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.706 2.271 . . . . 0.0 111.786 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 28.0 m -64.39 -55.85 18.29 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.245 1.018 . . . . 0.0 110.635 175.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -65.12 -35.2 80.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 122.99 0.516 . . . . 0.0 111.247 -175.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.9 t -52.85 -56.38 7.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 123.509 0.723 . . . . 0.0 110.09 165.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.4 ttmt -55.13 -41.9 72.32 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-O 118.931 -0.556 . . . . 0.0 111.655 -177.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 29.5 mm -60.83 -48.58 88.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 123.649 0.78 . . . . 0.0 110.542 176.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.83 -45.34 78.39 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 118.376 0.534 . . . . 0.0 110.859 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -59.63 -43.81 93.68 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.694 1.197 . . . . 0.0 111.397 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.01 -44.44 87.28 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.539 1.536 . . . . 0.0 111.037 174.302 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -64.32 -44.82 90.36 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.33 0.652 . . . . 0.0 110.81 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -66.15 -41.72 90.0 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.462 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -52.77 -51.28 61.29 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.762 0.825 . . . . 0.0 110.41 172.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.9 t80 -60.81 -48.98 79.32 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.659 0.384 . . . . 0.0 110.997 -178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -60.0 -53.88 52.67 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.136 0.975 . . . . 0.0 111.61 -174.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -32.52 74.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.112 0.565 . . . . 0.0 111.78 -177.227 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -45.76 79.71 Favored 'General case' 0 C--N 1.34 0.178 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 175.034 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -69.12 -29.56 67.65 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 123.279 0.632 . . . . 0.0 112.476 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -66.52 106.06 1.67 Allowed 'General case' 0 CA--C 1.531 0.216 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 173.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 61.63 -171.6 0.15 Allowed 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.77 1.228 . . . . 0.0 110.48 -166.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 61.2 tttp 73.99 -56.21 0.65 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.738 1.615 . . . . 0.0 112.858 177.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -68.51 76.09 0.27 Allowed 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.978 1.711 . . . . 0.0 111.037 -175.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 143.41 -22.14 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.373 1 C-N-CA 131.816 4.047 . . . . 0.0 110.636 176.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.88 -50.54 4.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.843 1.257 . . . . 0.0 111.421 -174.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.13 71.36 1.36 Allowed 'General case' 0 C--N 1.34 0.168 0 C-N-CA 123.612 0.765 . . . . 0.0 110.595 -169.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.6 -37.89 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.436 1.494 . . . . 0.0 110.864 171.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 pt20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 117.004 -1.474 . . . . 0.0 110.004 170.109 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 120.651 0.262 . . . . 0.0 110.824 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 52.8 ttt85 -80.62 74.52 7.53 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.046 0.939 . . . . 0.0 110.212 -175.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -138.27 134.06 33.89 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 169.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.2 164.96 12.1 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.03 1.332 . . . . 0.0 111.591 -174.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 50.86 50.75 18.42 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.694 1.597 . . . . 0.0 110.916 -177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 33.9 ttm105 -88.46 80.47 7.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 107.909 -1.145 . . . . 0.0 107.909 175.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 60.5 t -67.18 127.53 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 92.9 mt -137.05 120.99 17.6 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 62.81 -179.74 0.14 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.511 1.924 . . . . 0.0 112.61 173.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 p -85.26 170.84 12.43 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.359 0.663 . . . . 0.0 110.607 -179.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.89 -45.09 82.79 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.287 1.035 . . . . 0.0 110.455 175.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.31 -48.45 79.79 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 123.807 0.843 . . . . 0.0 111.33 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -53.65 53.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.282 0.633 . . . . 0.0 110.262 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 95.7 t -64.85 -36.94 78.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.321 0 C-N-CA 123.828 0.851 . . . . 0.0 110.679 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -56.17 -48.5 76.21 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 119.096 0.862 . . . . 0.0 110.366 177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.56 -43.19 99.43 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.235 0.614 . . . . 0.0 111.736 176.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.96 -48.9 76.9 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.222 0.609 . . . . 0.0 111.223 -179.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -59.97 -49.11 78.95 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.417 1.487 . . . . 0.0 111.886 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 28.5 ttm-85 -47.91 -48.09 31.82 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 125.146 1.378 . . . . 0.0 110.355 177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -65.04 -52.09 57.83 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.194 0.598 . . . . 0.0 110.789 175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -52.88 -44.27 66.76 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.751 1.22 . . . . 0.0 112.929 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.06 2.15 9.45 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 -179.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -107.12 -73.18 0.7 Allowed 'General case' 0 C--N 1.34 0.183 0 C-N-CA 124.652 1.181 . . . . 0.0 108.325 166.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -117.95 129.14 55.43 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 124.575 1.15 . . . . 0.0 108.026 178.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.0 mppt? -83.7 27.23 0.64 Allowed 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.327 1.051 . . . . 0.0 111.261 -169.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -169.36 151.71 4.62 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 127.097 2.159 . . . . 0.0 108.623 171.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -92.72 143.48 26.26 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 162.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.9 p -76.49 171.26 14.92 Favored 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 170.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.65 -53.87 27.29 Favored Pre-proline 0 CA--C 1.543 0.686 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -69.82 -44.19 2.18 Favored 'Trans proline' 0 N--CA 1.456 -0.7 0 C-N-CA 121.912 1.741 . . . . 0.0 111.175 -176.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -59.19 -40.4 85.58 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.669 0.788 . . . . 0.0 111.252 178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -69.33 -43.23 74.12 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.706 1.203 . . . . 0.0 110.55 -176.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -64.55 -43.81 92.8 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 122.597 0.359 . . . . 0.0 110.155 174.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -58.66 -51.29 70.58 Favored 'General case' 0 C--N 1.341 0.214 0 C-N-CA 123.675 0.79 . . . . 0.0 110.856 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -58.88 -46.89 86.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 124.632 1.173 . . . . 0.0 109.959 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.57 -42.82 97.43 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 118.061 0.391 . . . . 0.0 110.975 -176.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.5 t -65.33 -49.81 68.03 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.343 0.657 . . . . 0.0 110.9 174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.2 ttm -69.44 -59.82 2.74 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.12 0.968 . . . . 0.0 112.371 -169.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 2.6 pt -71.04 -51.66 33.49 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -173.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.294 78.5 m80 119.64 79.43 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 131.641 3.976 . . . . 0.0 113.25 164.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.28 -171.91 2.53 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 130.653 3.581 . . . . 0.0 107.006 172.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.1 p -110.15 151.67 42.68 Favored Pre-proline 0 CA--C 1.534 0.332 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 157.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -57.24 -26.66 71.12 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 122.654 2.236 . . . . 0.0 112.817 -179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.6 m -68.66 -52.04 35.39 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.924 0.89 . . . . 0.0 110.599 173.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -59.86 -40.41 88.5 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 122.859 0.464 . . . . 0.0 111.33 178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.3 t -52.48 -61.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 169.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -53.06 -40.22 63.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.716 0.806 . . . . 0.0 112.161 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.3 mt -62.5 -52.7 56.61 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 C-N-CA 124.039 0.936 . . . . 0.0 110.491 177.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.0 t90 -52.55 -46.21 66.7 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.303 0.641 . . . . 0.0 110.341 176.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -60.88 -46.84 89.04 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.642 1.177 . . . . 0.0 111.949 178.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -54.52 -49.24 70.69 Favored 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 124.325 1.05 . . . . 0.0 110.432 175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -61.84 -39.77 92.99 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 124.142 0.977 . . . . 0.0 111.915 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -75.37 -43.22 51.5 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.039 0.381 . . . . 0.0 111.169 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 71.9 ttt-85 -57.48 -47.37 82.08 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.138 0.975 . . . . 0.0 110.723 174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -52.07 -53.07 46.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.948 1.699 . . . . 0.0 110.422 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 51.4 tptt -52.75 -48.9 66.44 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.015 0.926 . . . . 0.0 112.078 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 65.8 mtp -62.95 -51.67 65.99 Favored 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 123.662 0.785 . . . . 0.0 112.147 -179.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -66.19 -45.57 80.35 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 122.92 0.488 . . . . 0.0 110.783 -174.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -60.35 -42.96 96.82 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.459 1.104 . . . . 0.0 110.639 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 61.39 32.3 19.07 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.282 1.433 . . . . 0.0 110.388 -175.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 49.83 -104.68 0.15 Allowed 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.467 1.507 . . . . 0.0 111.013 -172.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp 38.12 -103.73 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 127.501 2.32 . . . . 0.0 115.402 169.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.67 -26.58 22.92 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.665 0.617 . . . . 0.0 112.665 -148.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -74.32 -50.98 16.53 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 124.428 1.091 . . . . 0.0 108.497 -163.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -172.79 80.56 0.05 OUTLIER 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.952 1.301 . . . . 0.0 107.905 164.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -141.1 -47.84 0.4 Allowed 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.872 0.869 . . . . 0.0 110.139 174.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -76.44 41.78 0.26 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.497 1.119 . . . . 0.0 112.304 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.159 0 C-N-CA 125.902 1.681 . . . . 0.0 108.642 -174.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 53.4 mtm . . . . . 0 N--CA 1.475 0.786 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -145.16 161.6 39.12 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.893 1.277 . . . . 0.0 108.841 176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.2 tpt85 -148.23 101.55 3.27 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 124.594 1.158 . . . . 0.0 108.57 -176.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.0 tmtp? -163.22 -73.69 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 N-CA-C 108.098 -1.075 . . . . 0.0 108.098 173.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 -153.28 -54.12 0.11 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.248 1.419 . . . . 0.0 108.699 -179.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.3 mtp180 69.57 161.62 0.21 Allowed 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.129 1.772 . . . . 0.0 112.034 173.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.19 -84.48 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 124.161 0.985 . . . . 0.0 109.991 -169.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -99.72 37.36 1.62 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.411 1.084 . . . . 0.0 110.273 175.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -147.03 165.92 28.42 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 127.383 2.273 . . . . 0.0 106.724 173.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -166.26 172.88 10.65 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.329 1.052 . . . . 0.0 108.507 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -55.86 -54.06 49.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 123.673 0.789 . . . . 0.0 109.977 174.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.87 -48.16 81.75 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.039 0.935 . . . . 0.0 111.759 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -58.93 -58.26 9.43 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 123.07 0.548 . . . . 0.0 110.8 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.6 t -65.68 -35.33 74.94 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 C-N-CA 123.895 0.878 . . . . 0.0 110.678 -177.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -53.28 -51.74 61.32 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.601 0.637 . . . . 0.0 110.39 171.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -66.9 -42.72 85.02 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 119.484 -0.293 . . . . 0.0 111.215 -177.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -57.8 -52.18 66.54 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.56 0.744 . . . . 0.0 110.893 177.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -59.89 -46.27 89.85 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.421 1.088 . . . . 0.0 112.041 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.1 ttt85 -55.62 -53.09 60.81 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 118.077 0.398 . . . . 0.0 109.962 176.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -54.83 -45.67 74.48 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.276 0.63 . . . . 0.0 110.38 178.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -57.65 -42.14 82.85 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.294 0.638 . . . . 0.0 111.779 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -88.43 29.05 1.02 Allowed 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.984 0.913 . . . . 0.0 111.937 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -138.17 -54.76 0.64 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.684 1.194 . . . . 0.0 109.226 175.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -130.31 159.62 36.39 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.836 1.654 . . . . 0.0 109.78 -178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -68.88 -43.82 74.55 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.335 1.054 . . . . 0.0 111.805 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -149.37 164.38 35.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.715 1.606 . . . . 0.0 109.677 -175.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -85.71 140.73 30.27 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 160.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 p -72.71 172.32 10.93 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 123.22 0.608 . . . . 0.0 110.604 -177.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.76 -45.96 91.83 Favored Pre-proline 0 CA--C 1.539 0.557 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -171.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -80.84 -40.61 0.18 Allowed 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.793 1.662 . . . . 0.0 110.455 176.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -60.64 -38.01 83.4 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 127.657 2.383 . . . . 0.0 112.359 -173.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.4 ptt85 -63.56 -35.75 81.52 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 122.817 0.447 . . . . 0.0 110.86 176.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.93 -45.37 50.85 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.765 0.826 . . . . 0.0 109.132 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -53.57 -50.52 65.39 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.111 0.564 . . . . 0.0 110.48 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.8 tt -57.33 -50.64 72.31 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 123.637 0.775 . . . . 0.0 109.79 174.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.5 -47.91 69.46 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-N 118.868 0.758 . . . . 0.0 111.284 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.6 t -62.25 -48.75 78.57 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.643 0.777 . . . . 0.0 111.305 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 48.6 tpp -64.11 -61.43 2.26 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 124.388 1.075 . . . . 0.0 111.842 -172.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.8 pt -69.98 -46.14 74.3 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 123.102 0.561 . . . . 0.0 110.46 -174.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.287 74.7 m80 107.0 74.46 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.122 0 C-N-CA 131.095 3.758 . . . . 0.0 113.038 173.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -126.53 -171.98 2.53 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 131.179 3.792 . . . . 0.0 106.591 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.6 p -108.94 153.41 42.47 Favored Pre-proline 0 CA--C 1.533 0.314 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 159.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_endo -56.11 -29.69 75.83 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.695 2.263 . . . . 0.0 112.488 178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 21.0 m -66.67 -52.47 44.52 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.244 1.017 . . . . 0.0 110.626 174.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.0 mm100 -61.94 -39.18 91.2 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.487 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 70.0 t -51.76 -60.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.342 0.241 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.0 ttmt -56.39 -41.13 75.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.143 -176.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.85 -52.51 59.75 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 123.914 0.885 . . . . 0.0 110.249 177.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -52.4 -46.77 66.42 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 123.759 0.824 . . . . 0.0 110.177 177.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -58.08 -53.21 60.81 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.464 1.106 . . . . 0.0 111.786 176.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -51.75 -46.84 64.19 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 125.447 1.499 . . . . 0.0 111.431 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -63.26 -38.66 92.03 Favored 'General case' 0 N--CA 1.449 -0.49 0 C-N-CA 124.433 1.093 . . . . 0.0 111.197 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -71.38 -43.51 66.75 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.958 178.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 24.3 mtp-105 -56.25 -45.6 79.98 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.8 0.84 . . . . 0.0 110.866 173.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -59.71 -55.9 28.54 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.858 0.863 . . . . 0.0 110.53 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -61.53 -51.46 68.51 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 123.459 0.704 . . . . 0.0 112.268 -172.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -33.87 74.5 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -176.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.3 tmtm? -74.31 -46.28 42.04 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.264 0.625 . . . . 0.0 110.629 177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -75.05 -63.26 1.3 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.78 0.832 . . . . 0.0 110.479 -174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 70.04 -63.02 0.41 Allowed 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 128.018 2.527 . . . . 0.0 112.678 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 58.46 -93.5 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.813 1.245 . . . . 0.0 109.652 -165.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -168.86 104.88 0.41 Allowed 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.385 1.074 . . . . 0.0 109.34 173.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -68.72 156.81 37.57 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 163.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -100.72 59.19 0.94 Allowed 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.276 0.63 . . . . 0.0 110.238 -174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -100.78 -139.32 0.33 Allowed 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.133 0.973 . . . . 0.0 108.598 170.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -95.4 83.11 3.77 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.059 0.944 . . . . 0.0 110.023 -178.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.78 118.82 3.53 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.896 0.879 . . . . 0.0 109.885 177.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.249 1.07 0 C-N-CA 126.788 2.035 . . . . 0.0 112.297 -173.855 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.475 0.804 0 CA-C-O 119.915 -0.088 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -87.97 25.99 1.45 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.717 0.807 . . . . 0.0 112.312 -178.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 ptp180 39.24 58.49 1.87 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.469 1.507 . . . . 0.0 112.2 -175.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.8 ttmt 63.01 60.54 1.21 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.185 1.394 . . . . 0.0 110.408 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 74.88 -55.23 0.65 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 127.658 2.383 . . . . 0.0 112.22 177.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 ptp180 -174.34 165.8 4.0 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 127.686 2.395 . . . . 0.0 107.544 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 88.3 t -63.61 -66.88 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 175.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 pp -153.44 167.37 29.68 Favored 'General case' 0 C--O 1.233 0.219 0 C-N-CA 124.982 1.313 . . . . 0.0 109.579 174.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -68.45 126.14 28.7 Favored 'General case' 0 C--N 1.339 0.123 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.4 p -82.41 175.47 10.21 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.841 0.856 . . . . 0.0 110.345 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -54.06 -48.27 70.78 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 124.664 1.185 . . . . 0.0 110.153 176.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.99 -45.67 90.06 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.214 1.006 . . . . 0.0 111.799 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.62 -56.92 15.54 Favored 'General case' 0 C--N 1.339 0.138 0 C-N-CA 123.175 0.59 . . . . 0.0 110.645 -178.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.49 -37.53 80.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.144 0 CA-C-O 118.985 -0.531 . . . . 0.0 110.064 -177.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -52.92 -54.75 30.28 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-N 118.471 0.578 . . . . 0.0 110.263 173.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -57.16 -52.76 64.03 Favored 'General case' 0 C--O 1.224 -0.277 0 CA-C-O 119.07 -0.49 . . . . 0.0 110.63 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 53.7 mt -55.86 -48.6 75.25 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.907 0.883 . . . . 0.0 111.668 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -64.76 -47.46 78.07 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.539 1.135 . . . . 0.0 111.995 177.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.81 -40.67 73.06 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 123.871 0.868 . . . . 0.0 110.833 176.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.0 tpp85 -67.64 -49.25 63.86 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.935 1.694 . . . . 0.0 109.24 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -56.33 -43.53 79.11 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 125.911 1.684 . . . . 0.0 112.038 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -54.9 -32.18 60.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.863 1.265 . . . . 0.0 112.506 178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 75.0 mm-40 -106.25 -13.39 15.42 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.788 1.635 . . . . 0.0 113.191 -176.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -29.81 111.24 0.07 Allowed 'General case' 0 C--N 1.344 0.33 0 C-N-CA 126.84 2.056 . . . . 0.0 114.474 -157.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -88.33 37.65 0.83 Allowed 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 170.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 53.4 89.23 0.03 OUTLIER 'General case' 0 C--N 1.344 0.349 0 C-N-CA 126.575 1.95 . . . . 0.0 112.546 -178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 mt -63.52 103.66 0.55 Allowed 'General case' 0 C--N 1.341 0.232 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 168.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 p -79.66 -176.3 5.28 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 125.741 1.616 . . . . 0.0 109.283 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.32 -55.9 19.18 Favored Pre-proline 0 CA--C 1.539 0.527 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.312 178.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -68.99 -42.66 3.97 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 121.878 1.718 . . . . 0.0 111.43 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -62.98 -42.81 99.94 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 122.049 -0.407 . . . . 0.0 111.35 -173.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.17 -25.83 65.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 119.056 -0.497 . . . . 0.0 112.221 178.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -66.8 -42.09 86.51 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.638 0.654 . . . . 0.0 109.803 169.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -61.91 -48.57 79.86 Favored 'General case' 0 C--N 1.341 0.219 0 CA-C-O 118.833 -0.603 . . . . 0.0 110.562 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.4 tt -52.54 -49.25 65.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.546 0.738 . . . . 0.0 110.288 172.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.17 -36.62 78.0 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 122.808 0.443 . . . . 0.0 112.0 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.0 t -69.61 -52.28 27.41 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.055 0.542 . . . . 0.0 110.398 175.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.6 mmm -65.56 -61.02 2.33 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.558 1.143 . . . . 0.0 112.073 -172.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 38' ' ' ILE . 2.0 pt -71.35 -50.16 42.72 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 -172.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.271 76.7 m80 119.25 97.18 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 131.197 3.799 . . . . 0.0 112.262 164.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.3 mt -157.57 -160.57 0.94 Allowed 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 129.355 3.062 . . . . 0.0 107.065 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 78.5 p -120.09 153.45 55.36 Favored Pre-proline 0 CA--C 1.532 0.256 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 165.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.05 -30.04 57.91 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.545 2.83 . . . . 0.0 113.727 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 23.5 m -72.93 -52.27 15.26 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.205 1.002 . . . . 0.0 110.688 177.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -56.54 -42.99 79.43 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.795 0.838 . . . . 0.0 110.698 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.4 t -52.92 -63.61 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.069 0.948 . . . . 0.0 110.607 171.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tpmt? -52.69 -41.76 64.17 Favored 'General case' 0 C--O 1.223 -0.331 0 CA-C-O 118.401 -0.809 . . . . 0.0 111.339 -177.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.4 mt -57.03 -56.24 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-N 119.082 0.855 . . . . 0.0 110.47 176.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 36.0 t90 -53.39 -48.14 68.9 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.18 0.592 . . . . 0.0 110.85 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -60.17 -56.28 23.5 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.439 1.096 . . . . 0.0 111.454 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -47.98 -49.06 31.9 Favored 'General case' 0 N--CA 1.445 -0.717 0 C-N-CA 125.393 1.477 . . . . 0.0 111.698 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -59.96 -42.61 94.44 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.649 0.78 . . . . 0.0 111.113 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -70.17 -37.97 75.3 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-O 119.454 -0.308 . . . . 0.0 111.251 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -62.48 -35.3 78.92 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.519 0.6 . . . . 0.0 111.01 170.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -69.09 -36.73 77.9 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.977 0.511 . . . . 0.0 111.509 -178.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.4 tmtm? -56.62 -48.08 78.26 Favored 'General case' 0 N--CA 1.451 -0.42 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.8 mtp -65.19 -42.08 93.95 Favored 'General case' 0 N--CA 1.444 -0.742 0 C-N-CA 123.723 0.809 . . . . 0.0 111.833 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -59.74 -47.14 86.87 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.775 0.83 . . . . 0.0 110.367 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -62.4 -58.9 5.98 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.226 1.011 . . . . 0.0 109.754 178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -164.15 106.06 0.9 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.49 -87.27 0.06 Allowed 'General case' 0 CA--C 1.531 0.248 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 174.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -156.15 56.7 0.58 Allowed 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -142.59 64.6 1.37 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.986 1.314 . . . . 0.0 108.693 -164.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -75.67 89.2 2.78 Favored 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 177.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.08 -49.73 74.76 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.561 0.744 . . . . 0.0 110.126 174.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.26 69.55 6.72 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.112 0.965 . . . . 0.0 109.862 176.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -102.69 170.85 7.76 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.876 1.27 . . . . 0.0 110.237 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.09 0 CA-C-O 117.164 -1.398 . . . . 0.0 109.08 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.473 0.688 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.76 169.12 16.12 Favored 'General case' 0 C--N 1.342 0.246 0 C-N-CA 123.848 0.859 . . . . 0.0 109.828 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.5 mmm-85 65.51 164.58 0.17 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.573 1.549 . . . . 0.0 113.75 166.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 26.0 ttpp -85.05 69.29 10.78 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.553 0.741 . . . . 0.0 109.769 -174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? 77.04 -51.27 0.56 Allowed 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 127.213 2.205 . . . . 0.0 112.892 168.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -79.15 90.34 4.87 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.022 -1.473 . . . . 0.0 107.022 168.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.3 t -65.89 -80.87 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.901 0.88 . . . . 0.0 111.235 -163.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 tt -168.06 78.12 0.15 Allowed 'General case' 0 CA--C 1.531 0.222 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 -175.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -128.36 150.77 49.95 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 123.511 0.724 . . . . 0.0 111.707 -168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.4 p -90.5 168.88 11.5 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.373 1.069 . . . . 0.0 110.6 179.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 mp0 -57.82 -49.25 77.28 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 124.74 1.216 . . . . 0.0 110.033 174.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.78 -46.54 81.43 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.374 1.069 . . . . 0.0 111.71 178.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -58.72 -58.02 10.44 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 123.251 0.621 . . . . 0.0 110.638 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 65.5 t -62.0 -36.08 72.04 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.185 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -57.08 -53.6 56.27 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 122.91 0.484 . . . . 0.0 110.8 174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -61.74 -49.9 74.56 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.201 0.455 . . . . 0.0 110.896 -179.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 38' ' ' ILE . 6.6 mp -57.9 -41.83 83.44 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-O 117.981 -1.009 . . . . 0.0 113.059 177.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -62.22 -44.65 96.1 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 120.647 1.567 . . . . 0.0 113.589 169.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttm-85 -52.59 -45.37 66.48 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.331 0.652 . . . . 0.0 109.506 176.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.25 -60.11 3.59 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.695 0.398 . . . . 0.0 110.577 174.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.0 t80 -45.57 -49.46 13.96 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 126.221 1.809 . . . . 0.0 112.647 -174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 tppt? -64.01 -38.01 89.52 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.559 0.743 . . . . 0.0 112.337 -173.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -78.33 -54.24 6.41 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.452 1.101 . . . . 0.0 110.286 -179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -133.53 126.63 31.44 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.55 1.54 . . . . 0.0 108.449 -176.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -59.83 -40.07 87.21 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 125.426 1.491 . . . . 0.0 114.484 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -137.91 141.11 40.62 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 124.852 1.261 . . . . 0.0 110.171 -178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.65 144.63 47.31 Favored 'General case' 0 C--N 1.342 0.253 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 169.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.9 p -80.08 169.27 18.06 Favored 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 107.928 -1.138 . . . . 0.0 107.928 169.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.17 -56.34 25.0 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 178.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -66.64 -41.69 10.71 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 121.585 1.523 . . . . 0.0 110.8 -173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -65.39 -37.29 86.53 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.778 0.831 . . . . 0.0 111.03 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 27.4 ttm105 -62.33 -49.43 75.62 Favored 'General case' 0 C--N 1.34 0.186 0 C-N-CA 123.855 0.862 . . . . 0.0 110.57 175.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.46 -40.8 95.83 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.518 0.327 . . . . 0.0 110.578 176.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -59.5 -52.26 66.34 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 123.513 0.725 . . . . 0.0 110.449 178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.0 mp -56.25 -56.55 19.6 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-O 118.364 -0.827 . . . . 0.0 110.849 173.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.75 -51.01 23.8 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 119.362 0.983 . . . . 0.0 111.907 -177.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.5 t -57.84 -49.2 77.46 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.522 0.729 . . . . 0.0 111.741 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -74.93 -59.21 2.84 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 123.846 0.858 . . . . 0.0 112.427 -172.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.487 ' CD1' HD11 ' A' ' 16' ' ' LEU . 5.4 pt -67.41 -60.65 2.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 C-N-CA 124.855 1.262 . . . . 0.0 111.448 -166.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m170 167.36 -49.71 0.01 OUTLIER 'General case' 0 C--N 1.342 0.255 0 C-N-CA 128.054 2.542 . . . . 0.0 112.724 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.2 mp -55.77 168.25 0.46 Allowed 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 125.65 1.58 . . . . 0.0 112.445 -171.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 46.4 p -102.68 157.51 33.58 Favored Pre-proline 0 CA--C 1.531 0.214 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 169.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -54.48 -31.49 69.14 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 122.775 2.317 . . . . 0.0 113.039 179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 57.9 m -67.17 -54.38 21.74 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.429 0.692 . . . . 0.0 110.531 175.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -56.68 -43.18 80.21 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.623 0.369 . . . . 0.0 110.95 178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.7 t -53.91 -58.25 3.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 123.295 0.638 . . . . 0.0 110.171 173.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -55.74 -40.03 71.95 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 123.335 0.654 . . . . 0.0 111.648 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -62.92 -51.42 72.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 C-N-CA 123.556 0.742 . . . . 0.0 110.661 176.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.8 t90 -50.05 -46.66 53.38 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.941 0.896 . . . . 0.0 110.609 174.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -62.18 -49.64 75.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.291 1.436 . . . . 0.0 111.245 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -50.22 -52.61 34.48 Favored 'General case' 0 N--CA 1.447 -0.608 0 C-N-CA 125.127 1.371 . . . . 0.0 111.349 172.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -60.92 -36.94 80.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.961 0.904 . . . . 0.0 110.938 -176.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -68.5 -53.32 24.05 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.169 176.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -23.14 66.15 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 120.046 1.293 . . . . 0.0 113.303 178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -67.01 -60.08 2.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.223 0.465 . . . . 0.0 110.087 170.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -67.71 -35.04 78.06 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 123.352 0.661 . . . . 0.0 112.035 -170.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 17.1 mmt -70.27 -38.37 75.07 Favored 'General case' 0 N--CA 1.445 -0.718 0 C-N-CA 125.303 1.441 . . . . 0.0 110.961 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -65.58 -41.69 92.6 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 171.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -60.92 -48.1 83.39 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 123.357 0.663 . . . . 0.0 110.685 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -158.44 -47.54 0.06 Allowed 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 119.16 87.14 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 128.685 2.794 . . . . 0.0 108.55 -166.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.6 mttt 56.23 -108.49 0.44 Allowed 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.434 1.094 . . . . 0.0 109.626 -172.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -130.56 43.64 3.08 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.319 1.047 . . . . 0.0 109.091 178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.91 -179.25 6.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.865 1.266 . . . . 0.0 109.411 178.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -81.33 -51.92 7.85 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 123.653 0.781 . . . . 0.0 110.545 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 52.98 -124.45 2.31 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.864 1.265 . . . . 0.0 110.734 -177.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -133.62 -72.78 0.49 Allowed 'General case' 0 C--N 1.34 0.18 0 C-N-CA 125.019 1.328 . . . . 0.0 108.137 175.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 . . . . . 0 C--O 1.251 1.148 0 C-N-CA 125.697 1.599 . . . . 0.0 109.025 173.796 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 25.3 mmt . . . . . 0 N--CA 1.473 0.718 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 59.78 68.35 0.79 Allowed 'General case' 0 C--N 1.343 0.31 0 N-CA-C 107.9 -1.148 . . . . 0.0 107.9 -168.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 69.57 -149.92 0.12 Allowed 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 124.495 1.118 . . . . 0.0 109.139 -168.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -145.18 165.11 29.26 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.454 1.102 . . . . 0.0 109.131 173.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -75.42 106.17 6.83 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.332 0.653 . . . . 0.0 109.562 -178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.88 164.75 37.71 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.354 1.062 . . . . 0.0 109.78 175.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.9 t -81.76 -79.82 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 124.2 1.0 . . . . 0.0 109.666 -172.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.9 mt -140.83 76.82 1.57 Allowed 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.684 1.193 . . . . 0.0 108.261 -179.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -146.96 160.45 42.33 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.594 1.158 . . . . 0.0 109.493 178.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.6 p -103.32 165.59 10.94 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.508 1.123 . . . . 0.0 109.6 166.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -58.02 -48.88 78.74 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.767 1.227 . . . . 0.0 110.078 176.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.73 -50.73 72.24 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 124.154 0.982 . . . . 0.0 111.003 176.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -56.17 -50.33 71.48 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.823 0.449 . . . . 0.0 111.028 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.4 t -59.8 -44.19 93.46 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.264 0 CA-C-O 118.828 -0.606 . . . . 0.0 110.771 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -55.31 -47.48 75.56 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.948 0.795 . . . . 0.0 111.068 178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.83 -47.36 86.69 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.964 0.905 . . . . 0.0 111.329 174.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 41.4 mt -60.38 -51.99 67.15 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.271 1.029 . . . . 0.0 111.363 -177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -54.96 -49.55 71.1 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.282 1.433 . . . . 0.0 111.267 173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.0 ttp-105 -59.49 -41.55 90.09 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.866 0.466 . . . . 0.0 111.136 -178.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.3 tpp180 -59.28 -55.8 30.26 Favored 'General case' 0 C--O 1.223 -0.325 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -55.24 -51.24 67.24 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.575 1.15 . . . . 0.0 112.847 -168.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -65.35 -35.86 82.27 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -76.0 -70.42 0.44 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.393 1.077 . . . . 0.0 109.86 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -109.16 119.95 41.06 Favored 'General case' 0 N--CA 1.449 -0.51 0 C-N-CA 126.404 1.882 . . . . 0.0 107.433 -174.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -66.61 -33.06 74.81 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.433 0.693 . . . . 0.0 111.988 -165.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -145.61 140.39 27.33 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.097 0.959 . . . . 0.0 109.535 177.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 mt -71.29 151.74 43.93 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 169.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 79.7 p -81.59 164.08 22.14 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 169.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.92 -52.6 45.31 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 -177.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -73.04 -41.76 1.23 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 121.754 1.636 . . . . 0.0 111.009 -176.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.45 -35.07 78.14 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.055 0.942 . . . . 0.0 111.392 -178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -49.2 75.69 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 124.905 1.282 . . . . 0.0 110.146 177.01 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -66.3 -41.17 90.11 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.214 0.606 . . . . 0.0 110.349 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -58.17 -46.0 86.5 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.122 0.569 . . . . 0.0 110.649 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.26 -51.26 70.09 Favored 'General case' 0 N--CA 1.446 -0.634 0 C-N-CA 124.33 1.052 . . . . 0.0 109.189 175.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.9 -46.69 60.71 Favored 'General case' 0 C--N 1.34 0.18 0 CA-C-N 118.953 0.797 . . . . 0.0 111.461 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.3 t -64.77 -51.41 62.39 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.84 0.456 . . . . 0.0 111.584 175.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.9 ttt -62.96 -56.65 15.3 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.277 1.431 . . . . 0.0 111.793 -170.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 8.9 pt -62.8 -45.54 98.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.122 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.8 m80 97.21 113.65 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 130.839 3.656 . . . . 0.0 108.491 -176.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 mt 163.52 -174.25 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 131.3 3.84 . . . . 0.0 108.207 -179.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.9 p -104.88 155.24 37.85 Favored Pre-proline 0 C--N 1.341 0.213 0 N-CA-C 108.371 -0.974 . . . . 0.0 108.371 -177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -55.99 -29.37 73.38 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 122.744 2.296 . . . . 0.0 112.125 173.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.3 m -69.27 -55.16 11.33 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.862 1.265 . . . . 0.0 111.162 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 36.2 mm-40 -59.52 -44.4 93.16 Favored 'General case' 0 C--N 1.34 0.161 0 CA-C-N 118.172 0.442 . . . . 0.0 110.716 178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -50.03 -57.74 2.05 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 123.223 0.609 . . . . 0.0 110.854 171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.3 ttmt -54.44 -48.87 71.2 Favored 'General case' 0 C--O 1.222 -0.392 0 CA-C-N 118.982 0.81 . . . . 0.0 111.224 178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -53.65 -49.76 54.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 118.812 0.733 . . . . 0.0 110.392 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.1 t90 -55.6 -50.98 68.67 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.391 0.677 . . . . 0.0 111.055 177.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -55.16 -59.01 5.37 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.764 1.226 . . . . 0.0 111.268 177.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -50.35 26.03 Favored 'General case' 0 N--CA 1.448 -0.53 0 C-N-CA 127.641 2.376 . . . . 0.0 112.843 177.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -62.22 -41.1 98.09 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.302 0.641 . . . . 0.0 111.24 -173.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 -66.95 -46.32 75.06 Favored 'General case' 0 C--N 1.34 0.153 0 CA-C-O 118.852 -0.594 . . . . 0.0 110.696 175.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -52.05 -46.14 64.97 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 123.559 0.744 . . . . 0.0 110.951 175.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.22 -54.39 46.41 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 124.25 1.02 . . . . 0.0 110.648 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -56.81 -52.44 65.07 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 124.341 1.057 . . . . 0.0 112.047 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.3 ptm -71.37 -36.08 71.32 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 123.444 0.698 . . . . 0.0 112.111 -175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.26 -47.46 79.52 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.56 0.744 . . . . 0.0 110.208 176.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -64.37 -23.82 67.42 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.766 0.826 . . . . 0.0 111.276 174.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.328 7.5 pt20 67.5 -24.3 0.12 Allowed 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 128.919 2.887 . . . . 0.0 115.453 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 75.72 -72.23 0.11 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.739 1.616 . . . . 0.0 112.936 167.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? 46.17 -107.27 0.15 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 126.064 1.746 . . . . 0.0 110.364 -172.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -117.07 -40.76 3.08 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.566 1.546 . . . . 0.0 110.188 -175.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -51.79 -35.12 42.77 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 126.02 1.728 . . . . 0.0 112.37 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -148.89 62.26 1.06 Allowed 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.836 -0.801 . . . . 0.0 108.836 176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.41 -64.81 0.78 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.891 0.876 . . . . 0.0 111.833 -174.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -76.87 -18.22 58.48 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -171.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.604 -174.659 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 59.9 mtt . . . . . 0 N--CA 1.475 0.78 0 CA-C-O 119.91 -0.091 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 7.7 ttp180 -78.71 64.53 3.73 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.969 0.907 . . . . 0.0 108.615 172.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 54.5 ttt85 40.96 62.51 1.42 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 125.485 1.514 . . . . 0.0 110.831 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 70.4 89.14 0.1 Allowed 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.063 1.345 . . . . 0.0 108.726 -169.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 tpm_? -68.25 -74.72 0.12 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 124.929 1.292 . . . . 0.0 111.207 -174.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.39 155.99 23.77 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.81 0.844 . . . . 0.0 111.839 -171.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 85.6 t -68.61 -74.56 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 C-N-CA 123.973 0.909 . . . . 0.0 109.977 -174.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -169.33 149.98 4.19 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.475 0.71 . . . . 0.0 109.773 -179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -145.29 158.66 43.78 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 125.779 1.632 . . . . 0.0 108.223 170.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 p -157.84 172.66 18.07 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.297 1.039 . . . . 0.0 109.166 -175.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -57.01 -52.32 65.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.018 0.927 . . . . 0.0 109.875 176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -48.41 81.49 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.892 0.877 . . . . 0.0 111.772 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.68 -56.84 16.47 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 122.99 0.516 . . . . 0.0 110.588 -177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 96.4 t -64.24 -37.85 80.98 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.245 0 C-N-CA 123.826 0.85 . . . . 0.0 110.663 -178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 42.8 t80 -52.15 -53.79 38.6 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 118.71 0.686 . . . . 0.0 110.587 173.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -58.12 -53.59 56.5 Favored 'General case' 0 C--N 1.34 0.172 0 CA-C-O 119.309 -0.376 . . . . 0.0 110.818 176.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 38.7 mt -55.53 -48.76 74.16 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.909 0.884 . . . . 0.0 111.63 -174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -65.01 -50.67 65.36 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.125 1.37 . . . . 0.0 112.092 178.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.9 ttp-105 -56.91 -43.61 81.56 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -60.73 -53.44 57.43 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.545 1.138 . . . . 0.0 108.79 177.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -51.09 -42.08 60.4 Favored 'General case' 0 C--N 1.341 0.216 0 C-N-CA 124.969 1.307 . . . . 0.0 112.851 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.7 tttp -62.15 -42.85 99.65 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.308 0.643 . . . . 0.0 112.175 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -85.11 -30.92 23.62 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.845 1.658 . . . . 0.0 112.463 -172.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -72.18 151.61 42.83 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.929 1.691 . . . . 0.0 112.972 -160.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -98.23 -63.82 1.09 Allowed 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 164.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -152.32 143.16 22.97 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.372 1.469 . . . . 0.0 108.489 168.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mt -72.85 109.17 6.23 Favored 'General case' 0 C--N 1.344 0.36 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 168.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.4 p -73.44 175.44 6.98 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.527 1.131 . . . . 0.0 110.303 -177.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -51.2 -45.09 89.12 Favored Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -76.73 -43.3 0.28 Allowed 'Trans proline' 0 N--CA 1.456 -0.725 0 C-N-CA 121.621 1.547 . . . . 0.0 110.848 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -64.19 -38.06 89.69 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.413 0.685 . . . . 0.0 112.274 -169.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -58.6 -42.18 87.53 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.577 0.626 . . . . 0.0 111.404 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.41 -43.34 64.03 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.257 1.023 . . . . 0.0 109.915 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -59.23 -44.19 92.32 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.598 0.759 . . . . 0.0 111.113 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.96 -51.27 65.12 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.046 0.938 . . . . 0.0 108.705 174.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.23 -44.24 61.63 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.678 0.672 . . . . 0.0 111.288 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.3 t -64.25 -52.52 58.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.14 0.976 . . . . 0.0 111.233 174.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.4 ttm -54.97 -55.88 25.88 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.685 1.194 . . . . 0.0 111.682 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.474 HG21 HD13 ' A' ' 38' ' ' ILE . 6.9 pt -68.11 -47.81 76.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 C-N-CA 123.704 0.802 . . . . 0.0 110.019 -178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 73.8 m80 97.44 80.12 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.114 0 C-N-CA 130.904 3.682 . . . . 0.0 111.007 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -159.79 -167.7 2.06 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 129.91 3.284 . . . . 0.0 106.209 -176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.4 p -110.05 155.75 41.19 Favored Pre-proline 0 CA--C 1.532 0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 108.282 177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.4 -25.83 74.99 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 122.8 2.334 . . . . 0.0 112.229 174.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 m -70.22 -53.94 14.9 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.326 1.051 . . . . 0.0 110.756 175.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -59.25 -49.12 79.05 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 123.399 0.68 . . . . 0.0 109.587 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 25.4 t -42.84 -63.04 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 C-N-CA 124.624 1.169 . . . . 0.0 110.471 167.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -56.33 -36.61 68.92 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 118.45 -0.786 . . . . 0.0 111.922 -175.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.6 mt -65.14 -50.6 73.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 118.998 0.817 . . . . 0.0 110.613 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 33.0 t90 -53.0 -47.6 68.16 Favored 'General case' 0 C--N 1.343 0.284 0 C-N-CA 123.063 0.545 . . . . 0.0 110.019 175.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -58.68 -51.45 69.91 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.527 1.131 . . . . 0.0 111.271 178.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -45.19 -53.54 8.04 Favored 'General case' 0 N--CA 1.447 -0.576 0 C-N-CA 126.028 1.731 . . . . 0.0 111.639 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -60.71 -40.07 90.92 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 123.779 0.831 . . . . 0.0 111.033 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.2 m80 -73.61 -46.29 47.9 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 118.882 -0.58 . . . . 0.0 111.572 -177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.9 ptt-85 -62.82 -33.68 75.72 Favored 'General case' 0 C--N 1.342 0.259 0 CA-C-N 118.843 0.747 . . . . 0.0 111.55 175.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.78 -46.52 81.75 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 110.769 174.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -55.66 -48.8 74.43 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.548 0.739 . . . . 0.0 111.96 -176.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 2.1 ptp -62.19 -46.72 87.69 Favored 'General case' 0 N--CA 1.447 -0.576 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -75.64 -29.06 59.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -67.34 -46.52 73.17 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.312 0.645 . . . . 0.0 110.294 176.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -154.15 -46.4 0.09 Allowed 'General case' 0 CA--C 1.532 0.265 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 -171.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.1 -48.79 41.3 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -157.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -149.56 -112.68 0.06 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 123.623 0.769 . . . . 0.0 111.076 -174.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -74.9 127.61 33.6 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.099 0.96 . . . . 0.0 111.46 -163.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.0 ptpt -89.53 -27.13 20.48 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.123 0.969 . . . . 0.0 111.683 171.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -78.35 -45.49 22.38 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.083 0.953 . . . . 0.0 111.539 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.88 137.47 33.12 Favored 'General case' 0 C--N 1.341 0.2 0 C-N-CA 123.699 0.8 . . . . 0.0 111.389 -172.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -130.9 147.78 52.59 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.267 1.427 . . . . 0.0 107.945 171.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.25 1.093 0 C-N-CA 124.845 1.258 . . . . 0.0 108.004 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 21.4 mmt . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 118.614 -0.708 . . . . 0.0 109.971 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 94.2 mtt-85 -137.69 -153.62 0.49 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 -123.07 175.51 6.58 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.886 1.274 . . . . 0.0 108.328 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? 66.35 -75.51 0.05 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 126.325 1.85 . . . . 0.0 111.651 -176.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.5 ttp85 -79.26 -83.73 0.09 Allowed 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.319 0.647 . . . . 0.0 110.008 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -87.44 80.77 8.01 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 176.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 45.0 t -66.01 125.75 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.56 0 C-N-CA 124.016 0.926 . . . . 0.0 110.265 -173.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 42.0 tp -79.63 87.01 5.2 Favored 'General case' 0 C--N 1.341 0.219 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 65.5 157.12 0.1 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.653 2.381 . . . . 0.0 113.345 176.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.1 p -91.89 168.23 11.57 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.299 -179.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 mp0 -64.52 -43.3 94.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 C-N-CA 124.314 1.046 . . . . 0.0 110.032 176.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.53 -47.68 84.48 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.057 0.943 . . . . 0.0 111.532 177.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -55.27 -57.66 10.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.52 0.728 . . . . 0.0 110.772 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 81.3 t -70.9 -30.83 43.32 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.388 0 CA-C-O 118.671 -0.681 . . . . 0.0 111.029 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -52.66 -47.29 67.24 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.834 0.743 . . . . 0.0 110.267 171.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -65.66 -43.06 90.5 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.028 0.531 . . . . 0.0 111.768 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.12 -49.98 75.49 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.194 0.452 . . . . 0.0 110.917 178.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -57.65 -49.57 76.02 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.55 1.54 . . . . 0.0 111.719 174.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -51.75 -47.03 64.27 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 110.465 178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.1 tpt85 -69.34 -44.42 71.66 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 122.875 0.47 . . . . 0.0 111.145 178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -54.27 -42.72 70.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.75 1.22 . . . . 0.0 111.941 178.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -59.66 -36.51 76.58 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.616 0.766 . . . . 0.0 111.932 177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -73.36 -56.48 5.01 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.203 1.001 . . . . 0.0 110.633 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -156.6 137.1 13.09 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.67 1.188 . . . . 0.0 108.512 -169.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -86.19 35.27 0.64 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.109 1.364 . . . . 0.0 113.275 -165.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 174.96 139.89 0.05 OUTLIER 'General case' 0 N--CA 1.462 0.144 0 C-N-CA 127.262 2.225 . . . . 0.0 107.727 170.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.6 mt -69.33 137.91 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 171.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.5 p -70.25 159.81 33.34 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 123.101 0.56 . . . . 0.0 109.531 176.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.2 -44.46 18.23 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 115.994 1.849 . . . . 0.0 115.994 -172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -80.05 -43.24 0.13 Allowed 'Trans proline' 0 N--CA 1.456 -0.699 0 CA-C-N 121.351 1.518 . . . . 0.0 110.714 177.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.89 -34.19 76.89 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 124.713 1.205 . . . . 0.0 112.456 -172.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -56.23 -39.65 72.84 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.031 0.832 . . . . 0.0 111.708 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -70.62 -44.43 67.23 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.096 0.958 . . . . 0.0 109.808 -178.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -58.33 -51.97 67.56 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.824 0.85 . . . . 0.0 110.026 177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -58.45 -53.32 59.63 Favored 'General case' 0 N--CA 1.445 -0.704 0 C-N-CA 123.686 0.795 . . . . 0.0 109.951 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.23 53.37 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.757 0.708 . . . . 0.0 111.029 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 t -55.61 -50.32 70.44 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.771 0.829 . . . . 0.0 111.511 177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.4 mmm -69.78 -63.12 1.14 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.361 0.665 . . . . 0.0 112.151 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.6 pt -65.07 -50.53 74.04 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 119.374 -0.346 . . . . 0.0 111.648 -166.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 6.3 m170 157.8 -43.29 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 128.922 2.889 . . . . 0.0 112.206 172.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.29 164.71 0.29 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 127.592 2.357 . . . . 0.0 111.899 -170.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 80.7 p -96.51 154.7 38.48 Favored Pre-proline 0 CA--C 1.529 0.166 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 171.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -55.23 -29.87 68.94 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 122.459 2.106 . . . . 0.0 112.545 178.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.5 m -66.5 -56.68 9.74 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.155 0.982 . . . . 0.0 110.857 174.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.1 mm100 -61.7 -40.44 95.01 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.073 0.549 . . . . 0.0 111.229 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -49.03 -59.32 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 123.934 0.894 . . . . 0.0 110.182 168.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tmpt? -65.33 -35.19 80.23 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 118.67 -0.681 . . . . 0.0 110.372 -172.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 63.4 mt -60.14 -51.59 71.14 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-N 119.076 0.853 . . . . 0.0 110.183 173.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -54.73 -50.07 69.26 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 123.234 0.613 . . . . 0.0 109.929 177.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -56.96 -45.49 82.8 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.871 0.868 . . . . 0.0 111.695 178.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -54.45 -54.58 38.91 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.233 1.013 . . . . 0.0 110.619 174.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -58.33 -39.73 80.23 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.653 0.781 . . . . 0.0 111.448 -175.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -79.05 -43.38 24.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 122.941 0.496 . . . . 0.0 111.073 -176.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -67.19 -29.35 69.0 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 118.557 0.617 . . . . 0.0 111.405 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -64.33 -39.93 94.88 Favored 'General case' 0 C--N 1.34 0.165 0 C-N-CA 124.604 1.162 . . . . 0.0 111.866 176.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 tmtp? -59.59 -46.32 89.28 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.544 0.738 . . . . 0.0 109.535 178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.3 mtt -68.11 -39.91 82.7 Favored 'General case' 0 N--CA 1.447 -0.575 0 C-N-CA 124.287 1.035 . . . . 0.0 112.033 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -60.32 -48.31 82.28 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 123.366 0.666 . . . . 0.0 110.07 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -63.88 -43.43 96.06 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.751 0.82 . . . . 0.0 110.494 174.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . 0.28 0.0 OUTLIER 74.67 -53.68 0.67 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 127.497 2.319 . . . . 0.0 111.046 -172.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -73.36 168.04 20.01 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 124.095 0.958 . . . . 0.0 110.997 177.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 15.7 tppt? 55.63 72.54 0.48 Allowed 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.398 1.479 . . . . 0.0 110.257 -179.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -65.1 96.39 0.2 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.126 0.971 . . . . 0.0 111.318 -175.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.2 mtmp? -67.4 151.83 46.75 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 167.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.82 -43.72 18.71 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 125.803 1.641 . . . . 0.0 114.19 -166.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . 74.33 -50.34 0.68 Allowed 'General case' 0 C--N 1.34 0.193 0 C-N-CA 126.039 1.736 . . . . 0.0 111.718 -174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.7 tp-100 -67.38 133.05 48.87 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 116.881 -1.533 . . . . 0.0 110.572 -167.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 26.6 ptm . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -61.88 147.03 47.97 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.579 1.152 . . . . 0.0 110.112 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -85.99 -170.56 3.16 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 123.879 0.872 . . . . 0.0 111.583 -171.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . 0.326 0.5 OUTLIER 54.65 -177.6 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 128.285 2.634 . . . . 0.0 114.328 -176.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 28.3 tpt85 -48.57 124.14 7.78 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.133 1.373 . . . . 0.0 112.08 -169.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.08 128.62 55.83 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.373 1.469 . . . . 0.0 107.39 176.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 94.6 t -69.96 -75.72 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 123.948 0.899 . . . . 0.0 109.393 -176.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.68 153.75 20.48 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.548 1.139 . . . . 0.0 108.824 168.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 57.71 -179.87 0.06 Allowed 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.36 1.464 . . . . 0.0 112.101 -172.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.9 p -150.65 167.4 27.42 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.558 0.743 . . . . 0.0 109.838 175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -60.58 -46.33 90.63 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 123.571 0.748 . . . . 0.0 110.619 177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.95 -45.84 86.0 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.758 0.823 . . . . 0.0 111.411 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -64.58 -56.91 10.89 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.34 0.656 . . . . 0.0 110.947 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.83 -26.55 28.15 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.384 0 C-N-CA 124.039 0.936 . . . . 0.0 111.631 -174.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -48.88 -52.93 21.72 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 118.946 0.794 . . . . 0.0 110.11 168.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -65.22 -34.63 78.82 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 119.461 -0.304 . . . . 0.0 111.728 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 HD21 HD13 ' A' ' 38' ' ' ILE . 6.9 mt -73.91 -42.01 61.26 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 112.631 0.604 . . . . 0.0 112.631 -177.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -55.05 -50.67 68.51 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 125.23 1.412 . . . . 0.0 110.37 169.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -54.32 -50.36 67.55 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 123.81 0.844 . . . . 0.0 110.758 176.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -62.93 -37.79 88.43 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.922 0.889 . . . . 0.0 111.624 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -58.12 -26.51 62.73 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -177.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 65.8 tttm -62.13 -41.97 98.78 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 122.819 0.447 . . . . 0.0 111.192 170.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -79.99 -69.75 0.57 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 126.122 1.769 . . . . 0.0 110.819 -176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -116.48 130.57 56.83 Favored 'General case' 0 C--N 1.34 0.191 0 C-N-CA 125.303 1.441 . . . . 0.0 109.934 -174.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt -79.5 -14.49 58.85 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.058 0.943 . . . . 0.0 112.076 172.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -153.05 128.13 9.71 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.605 1.562 . . . . 0.0 107.061 167.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.419 HD23 ' HB3' ' A' ' 30' ' ' GLU . 4.2 mp -70.48 154.41 41.91 Favored 'General case' 0 CA--C 1.531 0.219 0 CA-C-N 118.204 0.456 . . . . 0.0 110.364 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.2 p -73.91 170.14 15.98 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.531 0.733 . . . . 0.0 109.971 174.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.65 -51.75 50.45 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 66.4 Cg_endo -72.08 -41.58 1.91 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 CA-C-N 121.497 1.57 . . . . 0.0 110.926 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' HD23 ' A' ' 26' ' ' LEU . 5.2 mm-40 -60.55 -37.38 81.06 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 124.539 1.136 . . . . 0.0 112.674 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ptp180 -69.03 -33.84 74.27 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.163 0.892 . . . . 0.0 112.477 177.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 58.0 mm-40 -68.12 -39.85 82.65 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.004 0.366 . . . . 0.0 110.154 171.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 84.5 t60 -56.71 -51.01 70.48 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-O 118.601 -0.714 . . . . 0.0 110.551 175.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -49.5 -53.26 24.22 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.597 0.635 . . . . 0.0 112.262 168.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.71 81.21 Favored 'General case' 0 N--CA 1.448 -0.545 0 C-N-CA 121.023 -0.271 . . . . 0.0 111.596 -168.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.9 t -70.63 -55.53 8.57 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.695 0.798 . . . . 0.0 110.935 171.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 15.6 tpt -64.9 -63.7 1.05 Allowed 'General case' 0 C--N 1.339 0.145 0 C-N-CA 125.087 1.355 . . . . 0.0 112.071 -169.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.448 HD11 ' HG ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -76.11 -47.92 30.01 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 -167.776 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.261 80.2 m80 115.11 84.78 0.0 OUTLIER 'General case' 0 C--N 1.339 0.114 1 C-N-CA 132.417 4.287 . . . . 0.0 112.893 169.274 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' HG ' HD11 ' A' ' 38' ' ' ILE . 1.5 mm? -142.06 -175.0 4.25 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 130.947 3.699 . . . . 0.0 110.263 -171.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -119.25 150.83 50.05 Favored Pre-proline 0 CA--C 1.534 0.331 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 159.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.44 -21.91 73.14 Favored 'Trans proline' 0 CA--C 1.535 0.533 0 C-N-CA 122.985 2.456 . . . . 0.0 113.481 -176.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 61.2 m -74.71 -48.0 28.3 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.289 1.036 . . . . 0.0 110.008 173.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -61.66 -36.21 80.17 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 123.067 0.547 . . . . 0.0 110.739 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.8 t -53.28 -66.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.342 0 C-N-CA 123.469 0.708 . . . . 0.0 109.601 167.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.1 tppt? -43.85 -46.35 7.86 Favored 'General case' 0 C--N 1.343 0.285 0 C-N-CA 124.03 0.932 . . . . 0.0 112.322 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.0 mt -58.48 -52.55 58.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 118.879 0.763 . . . . 0.0 110.985 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -52.45 -47.83 66.19 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.586 176.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -65.64 -39.91 91.95 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.896 1.278 . . . . 0.0 111.823 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -59.62 -47.89 83.81 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.428 1.491 . . . . 0.0 110.666 173.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -63.42 -40.02 96.07 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.131 0.972 . . . . 0.0 111.151 -177.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -73.91 -41.72 61.69 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 117.92 0.327 . . . . 0.0 111.21 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -45.12 87.91 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.345 0.658 . . . . 0.0 110.101 173.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -56.29 -52.86 62.94 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.567 1.147 . . . . 0.0 111.09 175.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 42.4 tptt -50.33 -46.4 55.6 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.519 1.127 . . . . 0.0 111.29 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 87.8 mmm -59.25 -45.08 92.12 Favored 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 123.695 0.798 . . . . 0.0 112.333 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mtmm -65.48 -42.76 91.87 Favored 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 117.951 0.342 . . . . 0.0 110.904 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 43.5 mmm-85 -63.96 -59.64 4.24 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 119.039 -0.505 . . . . 0.0 111.928 -176.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -157.58 44.82 0.35 Allowed 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 118.382 0.537 . . . . 0.0 112.407 -176.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 57.35 -105.42 0.27 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.396 1.078 . . . . 0.0 110.169 177.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -122.75 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 124.248 1.019 . . . . 0.0 108.29 166.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -113.28 53.76 0.75 Allowed 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.899 1.28 . . . . 0.0 108.201 171.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -160.14 113.9 2.18 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 122.911 0.484 . . . . 0.0 109.803 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -82.03 -165.9 1.11 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 124.548 1.139 . . . . 0.0 110.403 175.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.04 159.71 13.91 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.855 0.862 . . . . 0.0 111.352 176.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -149.59 53.53 0.94 Allowed 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 124.277 1.031 . . . . 0.0 108.402 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.9 mp0 . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.16 -1.4 . . . . 0.0 108.077 -178.155 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.61 0.226 . . . . 0.0 111.61 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.9 mtp180 65.27 169.49 0.2 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.915 1.686 . . . . 0.0 112.18 -174.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -140.37 -168.71 2.61 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.017 1.327 . . . . 0.0 108.384 177.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 43.6 pttt 55.71 5.97 0.17 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 127.311 2.244 . . . . 0.0 116.575 170.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.8 mmp_? 60.34 -167.5 0.18 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.543 1.537 . . . . 0.0 111.82 -178.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.8 mmm-85 61.42 84.46 0.13 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.978 1.711 . . . . 0.0 110.931 178.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 77.0 t -53.39 -64.3 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.558 1.543 . . . . 0.0 110.06 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.6 mt -136.72 170.64 15.74 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.995 1.318 . . . . 0.0 109.069 170.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -110.37 154.33 23.7 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.019 1.327 . . . . 0.0 109.245 174.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -81.15 172.7 13.34 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 123.139 0.576 . . . . 0.0 110.979 -172.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -56.9 -49.38 75.73 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 124.496 1.118 . . . . 0.0 110.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.0 -51.82 68.08 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.726 0.81 . . . . 0.0 111.261 177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -54.37 -55.39 29.06 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.763 0.825 . . . . 0.0 111.067 -177.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 70.7 t -67.11 -35.25 73.87 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.267 0 C-N-CA 123.289 0.636 . . . . 0.0 110.831 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -58.29 -49.31 77.6 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 118.848 0.749 . . . . 0.0 110.1 176.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.73 -43.55 94.13 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.208 0.603 . . . . 0.0 111.592 175.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 39.2 mt -64.16 -49.55 71.64 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 122.964 0.506 . . . . 0.0 111.561 -178.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -62.54 -44.12 97.13 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.629 1.171 . . . . 0.0 112.08 175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.3 ttm-85 -51.13 -48.01 61.89 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.061 0.944 . . . . 0.0 110.126 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -63.65 -51.72 63.91 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.912 0.485 . . . . 0.0 110.51 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -57.55 -51.44 69.47 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.812 1.245 . . . . 0.0 112.471 -174.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -85.93 33.63 0.6 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.36 1.064 . . . . 0.0 110.747 -174.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -146.24 -60.98 0.31 Allowed 'General case' 0 C--N 1.34 0.155 0 C-N-CA 125.298 1.439 . . . . 0.0 108.42 176.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -108.43 149.67 28.44 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.644 1.577 . . . . 0.0 109.133 -170.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -84.0 46.74 1.22 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.917 1.287 . . . . 0.0 111.236 -171.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 79.09 141.32 0.07 Allowed 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 126.871 2.069 . . . . 0.0 110.693 173.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.3 mp -63.25 145.89 54.58 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 122.737 0.415 . . . . 0.0 111.447 -170.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.8 p -77.76 170.88 15.82 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.106 0.962 . . . . 0.0 110.343 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.77 -42.34 77.13 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 115.5 1.667 . . . . 0.0 115.5 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -79.54 -45.58 0.11 Allowed 'Trans proline' 0 N--CA 1.455 -0.771 0 CA-C-N 121.516 1.577 . . . . 0.0 110.755 174.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -67.93 -29.03 68.0 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.743 0.817 . . . . 0.0 112.756 -168.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ppt_? -58.8 -36.44 74.46 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.601 0.637 . . . . 0.0 110.983 172.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -72.76 -43.01 63.41 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.861 0.864 . . . . 0.0 109.936 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -55.93 -51.2 68.48 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.961 0.504 . . . . 0.0 110.635 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.04 -52.6 64.85 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-O 118.4 -0.809 . . . . 0.0 109.692 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.11 -48.55 53.34 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.97 0.804 . . . . 0.0 111.39 -176.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.8 t -62.79 -53.3 56.37 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.612 0.765 . . . . 0.0 111.382 175.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -59.55 -57.25 13.79 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.205 1.402 . . . . 0.0 112.229 -171.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 13.2 pt -69.84 -47.96 66.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 -178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.543 ' O ' HD12 ' A' ' 40' ' ' LEU 0.258 76.5 m80 103.45 78.74 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.087 0 C-N-CA 130.688 3.595 . . . . 0.0 112.207 175.123 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 39' ' ' HIS . 7.9 mp -137.28 -179.26 5.62 Favored 'General case' 0 N--CA 1.451 -0.422 1 C-N-CA 132.731 4.413 . . . . 0.0 106.928 170.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 58.1 p -100.13 154.26 37.32 Favored Pre-proline 0 CA--C 1.532 0.273 0 N-CA-C 106.584 -1.636 . . . . 0.0 106.584 165.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -58.96 -23.79 69.86 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 121.997 1.798 . . . . 0.0 112.483 177.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.8 m -70.07 -52.49 23.53 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.523 1.129 . . . . 0.0 110.755 173.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -55.78 -48.82 74.66 Favored 'General case' 0 C--N 1.341 0.201 0 C-N-CA 123.421 0.688 . . . . 0.0 110.21 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.2 t -48.99 -62.12 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.908 0.883 . . . . 0.0 110.413 172.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.0 ttmt -55.76 -41.48 74.04 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.183 0.593 . . . . 0.0 112.249 -175.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 90.3 mt -65.56 -43.5 94.15 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 CA-C-N 118.217 0.462 . . . . 0.0 110.46 178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 42.5 t90 -57.64 -45.03 85.99 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 118.446 0.566 . . . . 0.0 110.639 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -62.6 -40.5 97.12 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.047 1.339 . . . . 0.0 111.958 178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -65.64 -45.23 83.81 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 125.059 1.344 . . . . 0.0 110.455 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -60.47 -44.44 95.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.992 0.917 . . . . 0.0 111.106 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -67.9 -39.99 83.53 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.218 0.463 . . . . 0.0 111.213 175.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -56.99 -41.95 79.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.618 0.767 . . . . 0.0 111.394 174.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -62.93 -46.55 87.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.081 0.552 . . . . 0.0 110.363 175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -60.83 -49.93 75.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.552 0.741 . . . . 0.0 112.312 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 24.3 ptm -61.59 -26.13 67.77 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.17 0.588 . . . . 0.0 112.54 -177.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 ttpp -81.91 -54.71 5.11 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.518 1.127 . . . . 0.0 109.876 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -75.92 -30.53 58.78 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 123.957 0.903 . . . . 0.0 112.428 -167.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.8 mm-40 73.42 169.32 0.31 Allowed 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.248 1.819 . . . . 0.0 109.877 -168.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.61 -71.45 0.37 Allowed 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -156.63 45.36 0.41 Allowed 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.339 1.056 . . . . 0.0 108.348 167.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -88.47 63.76 7.19 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.96 1.304 . . . . 0.0 108.814 -168.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? 71.98 -1.53 2.83 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 125.272 1.429 . . . . 0.0 112.054 -171.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -84.47 56.93 4.03 Favored 'General case' 0 C--N 1.344 0.347 0 C-N-CA 124.01 0.924 . . . . 0.0 109.325 174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -174.1 176.19 2.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.634 1.974 . . . . 0.0 108.174 -176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -78.15 68.8 4.26 Favored 'General case' 0 CA--C 1.536 0.421 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 175.277 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 99.4 mmm . . . . . 0 N--CA 1.474 0.728 0 CA-C-O 119.533 -0.27 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 60.95 176.09 0.1 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.319 1.448 . . . . 0.0 112.487 -177.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.8 ttt-85 62.44 -167.37 0.21 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.207 1.003 . . . . 0.0 109.784 -167.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 50.32 -101.79 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.032 1.333 . . . . 0.0 110.425 -176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -153.15 51.84 0.73 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.129 0.571 . . . . 0.0 110.181 172.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -94.23 66.62 3.47 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 169.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 93.5 t -75.12 -72.27 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 124.676 1.19 . . . . 0.0 110.444 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.412 HD13 ' H ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER -168.58 156.25 7.9 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 107.095 -1.446 . . . . 0.0 107.095 -176.633 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.412 ' H ' HD13 ' A' ' 7' ' ' LEU . 66.8 m-85 64.49 165.82 0.15 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 127.593 2.357 . . . . 0.0 112.988 179.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 99.2 p -112.01 166.57 11.11 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 124.607 1.163 . . . . 0.0 109.898 176.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -57.91 -47.52 82.58 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 124.578 1.151 . . . . 0.0 110.834 -177.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.35 -42.87 87.86 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.846 178.585 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.9 mm100 -66.98 -56.2 11.19 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.363 0.665 . . . . 0.0 110.124 -179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 86.3 t -59.52 -36.88 67.31 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.4 0 C-N-CA 124.471 1.108 . . . . 0.0 111.404 -178.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -49.29 -49.55 43.23 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 118.66 0.663 . . . . 0.0 111.403 175.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -60.8 -48.03 83.65 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.362 0.665 . . . . 0.0 111.239 177.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.98 -49.89 74.27 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 124.718 1.207 . . . . 0.0 110.94 -175.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -56.28 -48.23 77.03 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.433 1.493 . . . . 0.0 111.893 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm105 -50.65 -44.23 57.48 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 118.208 0.458 . . . . 0.0 110.844 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -66.5 -52.4 46.38 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 123.589 0.755 . . . . 0.0 110.545 175.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -62.28 -34.27 76.24 Favored 'General case' 0 C--N 1.34 0.168 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -171.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 pttp -82.14 16.61 1.89 Allowed 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 176.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -136.3 -76.02 0.43 Allowed 'General case' 0 C--N 1.342 0.282 0 C-N-CA 123.894 0.878 . . . . 0.0 112.279 179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -169.88 151.09 4.03 Favored 'General case' 0 C--N 1.342 0.278 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -151.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? 69.51 -45.08 0.56 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 130.139 3.376 . . . . 0.0 113.373 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.2 m-30 58.49 58.79 3.22 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.729 1.612 . . . . 0.0 109.06 -176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp 21.54 107.34 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 130.373 3.469 . . . . 0.0 114.532 -163.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 p -66.22 -179.17 0.73 Allowed 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.581 1.152 . . . . 0.0 110.89 174.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.26 -53.34 34.87 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 114.686 1.365 . . . . 0.0 114.686 -175.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -73.3 -41.9 1.1 Allowed 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.569 1.512 . . . . 0.0 110.859 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -56.61 -45.51 81.41 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.47 1.508 . . . . 0.0 112.094 -177.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.0 ptt-85 -67.21 -36.58 82.02 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 118.417 0.553 . . . . 0.0 111.033 -175.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -70.28 -44.36 68.55 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.336 1.054 . . . . 0.0 109.848 177.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -56.67 -50.0 73.39 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.29 0.636 . . . . 0.0 110.737 175.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.7 tt -60.55 -47.64 85.28 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 124.277 1.031 . . . . 0.0 110.581 176.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.88 69.91 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 118.328 0.513 . . . . 0.0 111.66 -177.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.1 t -73.11 -50.66 21.51 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.022 0.529 . . . . 0.0 110.518 170.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 45.4 tpp -66.01 -62.83 1.28 Allowed 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.721 1.208 . . . . 0.0 112.439 -170.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.8 pt -70.9 -45.03 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 78.7 m80 108.48 100.02 0.0 OUTLIER 'General case' 0 C--O 1.226 -0.174 0 C-N-CA 131.177 3.791 . . . . 0.0 110.909 170.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -158.92 -161.03 0.91 Allowed 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 129.356 3.062 . . . . 0.0 106.473 178.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 51.7 p -117.78 152.67 50.23 Favored Pre-proline 0 CA--C 1.532 0.284 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 165.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -58.88 -28.84 88.53 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 122.772 2.315 . . . . 0.0 112.316 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 27.6 m -68.69 -50.8 48.09 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.331 1.052 . . . . 0.0 110.5 174.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -60.23 -41.9 94.07 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.625 0.77 . . . . 0.0 111.01 179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.0 t -51.62 -59.11 1.5 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 C-N-CA 123.438 0.695 . . . . 0.0 110.003 169.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -54.72 -37.17 65.54 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 118.808 -0.615 . . . . 0.0 112.24 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.7 mt -64.05 -49.6 80.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.327 0 C-N-CA 123.607 0.763 . . . . 0.0 110.71 177.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.1 t90 -52.11 -46.59 65.37 Favored 'General case' 0 C--N 1.343 0.298 0 CA-C-N 118.429 0.558 . . . . 0.0 110.122 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -57.46 -60.27 3.91 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.802 0.841 . . . . 0.0 110.447 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -42.74 -50.39 5.57 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 125.993 1.717 . . . . 0.0 112.053 176.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -62.02 -38.06 87.26 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.302 1.041 . . . . 0.0 111.236 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 19.9 m80 -72.35 -39.98 67.72 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.444 0.698 . . . . 0.0 112.344 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -58.99 -50.44 74.08 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.84 0.745 . . . . 0.0 109.431 170.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -55.99 -50.87 69.65 Favored 'General case' 0 C--N 1.341 0.207 0 C-N-CA 123.743 0.817 . . . . 0.0 111.55 -178.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -53.03 -48.34 67.68 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.53 1.532 . . . . 0.0 110.514 -179.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.07 -49.61 67.03 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.733 0.813 . . . . 0.0 111.735 -177.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -73.33 -26.71 61.15 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -175.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.77 -73.48 0.13 Allowed 'General case' 0 CA--C 1.532 0.281 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -176.82 -46.38 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.135 0.974 . . . . 0.0 110.651 -178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.07 127.91 25.71 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 124.083 0.953 . . . . 0.0 112.938 -163.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 41.1 ttmt -65.8 -49.7 67.35 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.584 1.154 . . . . 0.0 110.894 -177.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -131.09 34.94 3.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.369 1.068 . . . . 0.0 110.632 -173.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 29.8 tptp 70.65 -58.3 0.56 Allowed 'General case' 0 C--N 1.343 0.321 0 C-N-CA 126.924 2.09 . . . . 0.0 110.404 -171.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -79.4 -172.55 3.27 Favored 'General case' 0 CA--C 1.535 0.391 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 156.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -68.78 -55.88 9.82 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 173.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -144.23 -68.45 0.32 Allowed 'General case' 0 C--N 1.343 0.288 0 C-N-CA 124.663 1.185 . . . . 0.0 108.256 172.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.109 0 C-N-CA 128.861 2.864 . . . . 0.0 112.81 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 40.8 tpp . . . . . 0 N--CA 1.473 0.712 0 CA-C-O 119.049 -0.501 . . . . 0.0 110.453 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 18.9 tpp85 50.85 50.28 19.36 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 125.135 1.374 . . . . 0.0 111.536 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.9 tpp180 58.93 20.86 8.56 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.987 1.315 . . . . 0.0 112.982 179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -142.57 -170.04 3.11 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 125.424 1.489 . . . . 0.0 108.83 -179.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.3 ttm180 64.63 71.46 0.46 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.323 1.449 . . . . 0.0 111.03 176.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -143.35 90.24 2.16 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.421 1.488 . . . . 0.0 107.663 177.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 67.4 t -72.83 -66.23 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.528 1.131 . . . . 0.0 110.481 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.9 tp -84.38 107.44 16.65 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 107.786 -1.191 . . . . 0.0 107.786 -178.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 61.88 150.37 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 128.094 2.558 . . . . 0.0 113.271 -167.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.7 p -171.32 177.68 3.49 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 126.845 2.058 . . . . 0.0 107.4 176.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -56.1 -49.39 73.98 Favored 'General case' 0 N--CA 1.446 -0.67 0 C-N-CA 124.702 1.201 . . . . 0.0 110.424 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.39 -46.1 88.02 Favored 'General case' 0 CA--C 1.53 0.192 0 C-N-CA 123.878 0.871 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -62.75 -53.48 53.78 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.222 0.609 . . . . 0.0 110.718 -176.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 87.6 t -58.71 -45.94 90.79 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.171 0 C-N-CA 124.516 1.126 . . . . 0.0 109.611 176.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -50.54 -51.22 49.77 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 118.827 0.74 . . . . 0.0 111.463 174.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -59.0 -40.89 86.25 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.049 0.54 . . . . 0.0 111.293 176.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.89 -57.42 8.86 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.623 -178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -52.93 -44.52 67.08 Favored 'General case' 0 C--N 1.346 0.425 0 CA-C-N 120.331 1.423 . . . . 0.0 113.096 170.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -55.16 -46.71 75.75 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 123.433 0.693 . . . . 0.0 110.556 -179.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -61.15 -57.53 12.1 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -53.12 -38.25 62.48 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 125.111 1.364 . . . . 0.0 113.603 -172.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.72 -42.89 94.11 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.954 0.502 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -81.33 -73.41 0.38 Allowed 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 124.466 1.106 . . . . 0.0 109.884 179.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -107.4 121.16 44.04 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.455 1.502 . . . . 0.0 108.071 -173.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -77.69 12.81 1.51 Allowed 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 -165.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -158.65 154.0 25.74 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 126.49 1.916 . . . . 0.0 107.977 171.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 24.5 mt -79.24 123.84 27.8 Favored 'General case' 0 C--N 1.341 0.209 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 156.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.3 p -80.89 172.86 13.22 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.265 1.026 . . . . 0.0 109.485 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.07 -47.27 81.75 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 114.669 1.359 . . . . 0.0 114.669 -175.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -74.7 -47.73 0.21 Allowed 'Trans proline' 0 N--CA 1.453 -0.87 0 CA-C-N 121.346 1.516 . . . . 0.0 110.35 176.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -58.77 -38.51 78.67 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.104 0.961 . . . . 0.0 112.721 -172.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -59.68 -35.0 73.6 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 118.974 0.806 . . . . 0.0 112.624 -177.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -69.17 -52.21 30.31 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 118.379 0.536 . . . . 0.0 109.865 178.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -52.46 -50.63 62.28 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 123.356 0.662 . . . . 0.0 110.6 177.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -67.93 -50.97 52.93 Favored 'General case' 0 N--CA 1.442 -0.866 0 C-N-CA 123.74 0.816 . . . . 0.0 109.848 -175.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.39 -41.97 61.07 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.146 0.978 . . . . 0.0 111.627 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 26.3 t -54.52 -40.01 68.2 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 123.26 0.624 . . . . 0.0 111.76 176.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.5 mmt -77.74 -56.91 4.12 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.711 0.804 . . . . 0.0 111.653 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 27.5 pt -69.37 -53.21 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-N 118.343 0.52 . . . . 0.0 111.422 -173.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.0 m80 90.72 78.63 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 128.974 2.909 . . . . 0.0 112.185 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.43 177.94 7.37 Favored 'General case' 0 N--CA 1.447 -0.622 1 C-N-CA 132.395 4.278 . . . . 0.0 107.121 175.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 70.7 p -101.37 159.85 28.28 Favored Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 167.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -53.81 -30.17 56.03 Favored 'Trans proline' 0 CA--C 1.535 0.543 0 C-N-CA 122.839 2.359 . . . . 0.0 112.565 171.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 15.3 m -69.99 -52.84 20.98 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.533 1.133 . . . . 0.0 110.964 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -59.41 -42.57 92.12 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.026 0.53 . . . . 0.0 110.857 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 21.2 t -48.53 -63.99 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 C-N-CA 123.467 0.707 . . . . 0.0 109.925 168.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -51.83 -43.64 63.24 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 118.418 -0.801 . . . . 0.0 112.448 -178.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.4 mt -59.55 -54.48 33.85 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 123.764 0.825 . . . . 0.0 110.45 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 32.1 t90 -53.12 -45.48 68.32 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.568 0.747 . . . . 0.0 110.844 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -61.59 -50.82 71.08 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.453 1.101 . . . . 0.0 111.329 178.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -51.58 -47.4 63.53 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.642 1.577 . . . . 0.0 111.482 175.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.48 -41.72 98.99 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.218 1.007 . . . . 0.0 111.073 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -69.78 -44.48 70.04 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 117.945 0.339 . . . . 0.0 111.22 179.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 75.0 mtp85 -57.86 -42.48 84.59 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.696 0.798 . . . . 0.0 110.652 175.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -58.56 -50.52 73.49 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.332 0.653 . . . . 0.0 111.079 175.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.6 tmtt? -57.28 -48.81 77.95 Favored 'General case' 0 N--CA 1.449 -0.501 0 C-N-CA 124.913 1.285 . . . . 0.0 109.661 -177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 90.4 mmm -60.97 -35.32 76.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 C-N-CA 124.042 0.937 . . . . 0.0 112.535 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -73.24 -51.03 19.19 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.053 0.541 . . . . 0.0 110.103 177.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 29.1 tpt85 -51.78 -53.16 42.95 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.768 2.027 . . . . 0.0 111.542 178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -56.92 -55.44 34.48 Favored 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -157.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 62.43 -72.81 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 C-N-CA 125.557 1.543 . . . . 0.0 110.841 -169.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -145.92 61.6 1.25 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.971 1.308 . . . . 0.0 110.364 172.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -66.23 137.84 57.25 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 167.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.26 61.9 2.55 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.8 1.24 . . . . 0.0 109.925 -172.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.32 -56.88 14.13 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 124.061 0.944 . . . . 0.0 110.767 -174.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.88 127.78 34.06 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 166.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -53.13 -54.26 38.35 Favored 'General case' 0 C--N 1.341 0.239 0 C-N-CA 124.447 1.099 . . . . 0.0 111.089 -175.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 30.0 mm100 . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.471 -1.252 . . . . 0.0 108.512 172.426 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 76.6 mtm . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.681 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 64.7 ttp85 -84.51 59.68 5.6 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.603 0.761 . . . . 0.0 109.734 -178.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -170.23 70.98 0.06 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.022 1.329 . . . . 0.0 108.984 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -63.12 163.26 10.35 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.585 0.754 . . . . 0.0 111.716 179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.2 tpp85 -62.16 119.98 10.02 Favored 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 107.586 -1.265 . . . . 0.0 107.586 166.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 61.4 74.63 0.44 Allowed 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.812 1.245 . . . . 0.0 110.887 -171.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 69.3 t -55.69 -61.31 1.15 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 124.613 1.165 . . . . 0.0 108.508 167.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mp -56.49 114.98 2.25 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.566 -1.272 . . . . 0.0 107.566 166.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -52.91 136.01 35.29 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 124.906 1.282 . . . . 0.0 111.645 -163.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 p -87.25 172.92 9.53 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.362 0.601 . . . . 0.0 111.073 -171.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 24.3 mp0 -51.93 -41.22 61.86 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 125.435 1.494 . . . . 0.0 110.2 173.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.3 -51.46 60.52 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.921 0.888 . . . . 0.0 111.508 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -52.85 -56.47 15.55 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.374 0.67 . . . . 0.0 110.212 -179.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 94.6 t -63.36 -45.25 98.61 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 126.768 2.027 . . . . 0.0 109.746 -177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -47.6 -53.19 15.4 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-N 118.707 0.685 . . . . 0.0 111.16 174.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -60.72 -36.78 79.68 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 118.049 0.386 . . . . 0.0 111.937 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.1 mt -67.88 -60.47 2.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.806 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -51.25 -44.11 61.66 Favored 'General case' 0 C--N 1.346 0.449 0 CA-C-N 120.176 1.353 . . . . 0.0 113.087 171.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -52.19 -44.87 64.92 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 123.587 0.755 . . . . 0.0 110.907 179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -67.76 -50.95 54.44 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.921 0.488 . . . . 0.0 110.147 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -49.67 -47.41 50.2 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 125.813 1.645 . . . . 0.0 113.705 -173.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -58.56 -27.98 65.08 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 -178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -96.31 -67.36 0.85 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.729 1.212 . . . . 0.0 109.463 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 54.3 tt0 -105.73 117.8 34.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.028 1.331 . . . . 0.0 108.239 -176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.7 tptm -84.23 -1.39 55.12 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.688 1.195 . . . . 0.0 113.838 -171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -166.41 127.39 1.72 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 126.313 1.845 . . . . 0.0 107.741 169.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mp -74.96 140.97 44.04 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.636 -0.505 . . . . 0.0 109.636 174.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.7 p -77.57 179.21 6.68 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.53 1.132 . . . . 0.0 110.07 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -49.83 -49.8 71.62 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.87 -45.28 0.51 Allowed 'Trans proline' 0 N--CA 1.456 -0.722 0 CA-C-N 121.242 1.479 . . . . 0.0 110.724 177.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -64.49 -35.22 80.24 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -65.34 -38.69 90.87 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 118.952 0.796 . . . . 0.0 110.69 179.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -63.32 -48.45 77.98 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.841 0.857 . . . . 0.0 109.673 172.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -55.51 -49.74 71.8 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.172 0.589 . . . . 0.0 111.089 -178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.4 tp -64.21 -49.7 70.96 Favored 'General case' 0 N--CA 1.446 -0.639 0 C-N-CA 123.375 0.67 . . . . 0.0 109.39 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.91 -42.02 62.42 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 118.875 0.762 . . . . 0.0 111.793 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.4 t -67.63 -51.76 46.25 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.419 1.088 . . . . 0.0 110.84 175.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 42.5 tpp -57.0 -55.57 32.93 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.34 1.056 . . . . 0.0 111.664 -176.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 38' ' ' ILE . 6.2 pt -65.71 -49.01 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.178 0 C-N-CA 123.382 0.673 . . . . 0.0 109.677 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 69.1 m80 92.06 85.07 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 130.052 3.341 . . . . 0.0 110.802 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -154.14 -125.39 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 128.466 2.707 . . . . 0.0 106.419 174.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.9 p -143.23 153.93 60.31 Favored Pre-proline 0 C--N 1.344 0.362 0 CA-C-N 120.05 1.296 . . . . 0.0 108.276 177.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -60.48 -25.56 80.83 Favored 'Trans proline' 0 N--CA 1.459 -0.528 0 C-N-CA 123.044 2.496 . . . . 0.0 112.093 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.1 m -70.17 -53.16 18.35 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.582 1.153 . . . . 0.0 110.332 174.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -53.78 -50.91 65.04 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.366 0.666 . . . . 0.0 109.562 176.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 38.3 t -45.82 -62.86 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 C-N-CA 123.841 0.856 . . . . 0.0 109.985 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -55.73 -38.17 69.41 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.898 0.703 . . . . 0.0 112.898 -176.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 76.1 mt -64.78 -52.82 49.53 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 C-N-CA 123.796 0.839 . . . . 0.0 110.526 177.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -52.04 -43.32 63.7 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.25 1.02 . . . . 0.0 110.49 175.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.39 -55.69 31.53 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.541 1.136 . . . . 0.0 111.007 176.412 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -47.31 -48.75 24.98 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 125.068 1.347 . . . . 0.0 111.436 175.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -63.86 -42.35 97.58 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 124.456 1.102 . . . . 0.0 111.346 -177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -68.79 -41.84 78.19 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 118.081 0.401 . . . . 0.0 111.67 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 76.8 mtp85 -57.57 -50.52 72.83 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 122.951 0.5 . . . . 0.0 109.909 173.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.1 t80 -56.56 -49.73 73.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.081 0.952 . . . . 0.0 111.23 -178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -51.81 -60.19 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 124.737 1.215 . . . . 0.0 111.611 -178.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.1 ptm -66.29 -36.59 83.36 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -175.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -62.3 -44.52 96.33 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.925 0.49 . . . . 0.0 110.718 177.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.4 ttp85 -71.76 -43.07 66.39 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.746 0.818 . . . . 0.0 110.994 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -146.43 79.8 1.54 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.131 0.972 . . . . 0.0 110.421 -169.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.08 70.84 2.8 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.45 1.1 . . . . 0.0 109.75 174.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.7 pttt -159.22 -29.95 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.674 1.19 . . . . 0.0 111.922 -177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.21 82.5 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 125.415 1.486 . . . . 0.0 110.356 -178.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 tmmm? 59.11 59.27 2.81 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.14 1.376 . . . . 0.0 109.183 -174.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -77.23 -64.42 1.14 Allowed 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.516 0.726 . . . . 0.0 110.963 -175.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -158.17 131.75 7.71 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.624 0.769 . . . . 0.0 110.327 -178.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 59.45 54.96 4.37 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.148 1.379 . . . . 0.0 111.758 173.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.283 0 C-N-CA 124.979 1.312 . . . . 0.0 109.601 173.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.871 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 87.4 mtt-85 65.24 175.6 0.21 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.492 1.517 . . . . 0.0 112.14 179.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.48 149.53 48.18 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.023 0.529 . . . . 0.0 112.328 -173.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm 63.76 168.92 0.16 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.567 1.947 . . . . 0.0 113.915 174.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.8 mtm-85 -172.06 -47.73 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.162 1.385 . . . . 0.0 110.523 -176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -44.0 120.93 2.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.518 1.527 . . . . 0.0 113.601 -171.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.9 t -63.96 -55.21 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 C-N-CA 125.949 1.7 . . . . 0.0 109.576 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -60.57 143.06 54.65 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.326 0.651 . . . . 0.0 110.297 172.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.419 ' CZ ' HD21 ' A' ' 40' ' ' LEU . 24.9 m-85 -125.98 170.69 11.45 Favored 'General case' 0 CA--C 1.528 0.117 0 C-N-CA 124.85 1.26 . . . . 0.0 110.882 -169.122 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 63.1 p -89.24 167.78 12.8 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.537 0.735 . . . . 0.0 110.04 173.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -60.6 -46.92 88.45 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 123.932 0.893 . . . . 0.0 110.433 175.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.57 -47.05 80.34 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.364 1.066 . . . . 0.0 111.719 177.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -55.67 -57.66 11.07 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.382 0.673 . . . . 0.0 111.204 179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 64.6 t -65.17 -36.66 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.46 0.048 0 C-N-CA 122.997 0.519 . . . . 0.0 110.936 -178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 78.2 t80 -55.34 -51.58 66.3 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-O 119.077 -0.487 . . . . 0.0 110.446 174.041 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -59.5 -42.38 92.04 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.091 0.556 . . . . 0.0 111.074 177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.1 mt -62.69 -59.2 5.23 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.162 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.15 -41.86 68.91 Favored 'General case' 0 C--N 1.341 0.233 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 172.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -54.66 -48.03 72.84 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.099 0.56 . . . . 0.0 109.987 176.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -54.76 15.0 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -44.5 -46.02 9.53 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.736 1.614 . . . . 0.0 112.858 -177.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -60.12 -37.5 80.22 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.39 1.076 . . . . 0.0 112.522 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.19 -54.48 6.75 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.573 1.149 . . . . 0.0 109.527 177.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -150.02 136.1 18.72 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.977 1.311 . . . . 0.0 108.744 174.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -84.61 40.2 0.78 Allowed 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 123.54 0.736 . . . . 0.0 111.55 179.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -142.81 150.78 40.4 Favored 'General case' 0 C--N 1.344 0.336 0 C-N-CA 125.029 1.331 . . . . 0.0 110.118 -178.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.9 mt -120.72 143.81 48.57 Favored 'General case' 0 C--N 1.34 0.17 0 N-CA-C 106.656 -1.609 . . . . 0.0 106.656 155.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 56.1 p -78.49 164.28 24.87 Favored 'General case' 0 CA--C 1.531 0.215 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 175.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.86 -50.47 61.35 Favored Pre-proline 0 CA--C 1.54 0.583 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 -171.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -78.41 -43.8 0.17 Allowed 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.922 1.748 . . . . 0.0 110.739 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -54.62 -36.88 64.97 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 127.242 2.217 . . . . 0.0 111.719 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -59.25 -47.46 85.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 125.627 1.571 . . . . 0.0 110.877 175.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -70.93 -40.46 72.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.591 0.356 . . . . 0.0 110.429 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -56.07 -48.09 76.74 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.757 0.823 . . . . 0.0 110.062 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.0 tt -60.13 -50.61 73.01 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 124.184 0.993 . . . . 0.0 109.524 176.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.28 75.86 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.536 0.607 . . . . 0.0 111.548 -177.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.6 t -65.59 -50.51 64.84 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.196 0.598 . . . . 0.0 111.074 174.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.2 ttt -68.21 -60.12 2.7 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.933 1.293 . . . . 0.0 112.332 -169.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.9 pt -72.68 -44.85 59.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 -172.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.5 m80 115.93 93.54 0.0 OUTLIER 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 131.0 3.72 . . . . 0.0 112.637 161.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CZ ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -154.93 -179.52 8.13 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 129.659 3.184 . . . . 0.0 107.912 -179.112 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 32.4 p -97.47 152.5 38.23 Favored Pre-proline 0 C--N 1.342 0.247 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 163.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -59.13 -28.06 86.75 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.471 2.114 . . . . 0.0 112.348 177.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.1 m -67.05 -55.0 16.22 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.849 0.859 . . . . 0.0 110.347 173.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -37.75 86.07 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 119.002 -0.523 . . . . 0.0 110.974 -178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 58.6 t -50.3 -62.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.344 0.36 0 CA-C-N 118.36 0.527 . . . . 0.0 110.128 166.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -55.99 -41.59 75.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 118.671 -0.68 . . . . 0.0 111.831 -175.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -62.33 -47.73 91.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 123.845 0.858 . . . . 0.0 110.698 177.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.9 t90 -54.81 -46.31 74.49 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 122.968 0.507 . . . . 0.0 110.595 176.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -59.81 -48.88 79.92 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.923 1.289 . . . . 0.0 111.304 176.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -53.7 -45.61 70.45 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 126.459 1.903 . . . . 0.0 111.583 175.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -66.59 -45.76 78.17 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 123.591 0.756 . . . . 0.0 110.405 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.8 m80 -66.53 -48.07 70.89 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 119.199 -0.429 . . . . 0.0 111.344 -178.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.42 -34.31 76.5 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.297 0.499 . . . . 0.0 111.379 176.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.61 -48.27 75.51 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.201 0.455 . . . . 0.0 111.116 177.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.02 -50.42 70.78 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 124.764 1.226 . . . . 0.0 109.756 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -65.63 -36.21 83.04 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 123.516 0.726 . . . . 0.0 112.666 179.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -68.85 -39.69 79.77 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 122.89 0.476 . . . . 0.0 110.591 177.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 36.0 ttp180 -74.81 -52.53 11.16 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.155 0.982 . . . . 0.0 111.837 -173.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -56.66 132.85 53.05 Favored 'General case' 0 C--N 1.342 0.242 0 C-N-CA 122.64 0.376 . . . . 0.0 111.431 -170.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 78.39 -45.16 0.4 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.706 2.002 . . . . 0.0 111.54 -174.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -82.34 47.35 1.14 Allowed 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.196 0.998 . . . . 0.0 109.406 173.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -77.67 13.61 1.26 Allowed 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 -165.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 10.9 mmmm -61.14 -35.74 77.91 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.759 -0.588 . . . . 0.0 109.512 155.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.85 -38.51 78.89 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 123.41 0.684 . . . . 0.0 111.363 172.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -45.53 78.73 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.101 0.56 . . . . 0.0 110.642 176.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -62.47 -62.13 1.96 Allowed 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.248 1.019 . . . . 0.0 110.648 -179.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.13 1.772 . . . . 0.0 108.179 175.287 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 44.2 mtm105 -70.76 87.43 0.7 Allowed 'General case' 0 C--N 1.342 0.249 0 N-CA-C 109.05 -0.722 . . . . 0.0 109.05 176.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 80.1 mtt-85 60.94 -150.12 0.41 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.277 1.031 . . . . 0.0 109.18 -172.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -82.78 -49.11 10.08 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.006 0.522 . . . . 0.0 110.029 172.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? 35.38 73.37 0.08 Allowed 'General case' 0 C--N 1.344 0.363 0 C-N-CA 127.52 2.328 . . . . 0.0 112.021 174.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? 64.43 87.08 0.12 Allowed 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.613 1.165 . . . . 0.0 109.684 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 33.5 t -48.68 135.15 5.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 C-N-CA 125.36 1.464 . . . . 0.0 111.299 -170.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.2 pp -155.16 166.95 31.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.522 1.129 . . . . 0.0 109.428 -177.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -140.72 -72.68 0.35 Allowed 'General case' 0 C--N 1.339 0.125 0 C-N-CA 124.108 0.963 . . . . 0.0 111.011 -173.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.0 p -144.09 167.13 23.12 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 126.233 1.813 . . . . 0.0 108.484 174.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -56.95 -51.83 67.61 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 124.202 1.001 . . . . 0.0 109.983 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.39 -51.25 70.73 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.193 0.997 . . . . 0.0 111.295 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -59.08 -52.75 64.38 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 122.833 0.453 . . . . 0.0 111.209 -176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.45 -40.26 88.4 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.1 0 C-N-CA 123.813 0.845 . . . . 0.0 110.847 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -50.91 -54.6 22.7 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 118.448 0.567 . . . . 0.0 109.96 171.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -61.49 -43.21 99.27 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 112.068 0.395 . . . . 0.0 112.068 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.2 mt -60.73 -52.89 63.21 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 124.291 1.036 . . . . 0.0 110.995 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.78 -49.68 75.8 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.506 1.122 . . . . 0.0 111.252 175.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.4 tmm_? -55.26 -41.18 71.87 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.33 0.652 . . . . 0.0 110.658 177.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -48.25 53.75 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 -178.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -50.93 -38.21 48.82 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.172 1.389 . . . . 0.0 111.832 178.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -64.75 -56.62 12.48 Favored 'General case' 0 C--N 1.339 0.152 0 C-N-CA 123.97 0.908 . . . . 0.0 110.774 173.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.2 mm100 -60.75 -43.96 97.32 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.502 1.121 . . . . 0.0 112.251 -172.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -145.8 144.98 30.62 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.813 0.845 . . . . 0.0 109.491 168.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tptp -61.4 -46.94 88.05 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.074 0.95 . . . . 0.0 111.814 -169.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -136.33 142.47 43.85 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.782 1.233 . . . . 0.0 109.876 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 mp -82.79 139.41 33.57 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.279 1.032 . . . . 0.0 110.269 177.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.3 p -83.29 -178.74 7.18 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.73 1.212 . . . . 0.0 109.813 175.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.61 -52.83 66.53 Favored Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -176.463 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_endo -72.9 -42.64 1.01 Allowed 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.513 1.476 . . . . 0.0 110.65 -178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -59.41 -42.14 91.1 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.401 1.48 . . . . 0.0 111.35 -178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 ptm85 -72.76 -31.13 64.68 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -64.75 -47.03 79.71 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 171.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.07 -52.92 48.07 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.312 1.045 . . . . 0.0 110.89 174.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tp -60.85 -52.49 64.83 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 123.414 0.686 . . . . 0.0 109.331 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.14 -43.28 66.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.784 0.834 . . . . 0.0 111.385 -175.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.4 t -65.73 -52.6 49.93 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.372 0.669 . . . . 0.0 111.12 174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.0 ttm -61.27 -59.45 5.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.725 1.21 . . . . 0.0 111.886 -171.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 HG21 ' A' ' 38' ' ' ILE . 7.4 pt -66.15 -47.74 83.7 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 C-N-CA 123.065 0.546 . . . . 0.0 109.7 -178.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 79.2 m80 100.01 96.45 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 131.091 3.756 . . . . 0.0 110.653 -179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -167.36 -176.6 3.31 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 129.511 3.125 . . . . 0.0 107.153 -179.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.0 p -100.68 155.02 36.83 Favored Pre-proline 0 CA--C 1.532 0.261 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 168.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -58.88 -22.49 62.87 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.613 2.209 . . . . 0.0 112.794 175.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 73.1 m -75.77 -52.35 10.61 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.608 1.163 . . . . 0.0 110.797 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -64.15 -36.66 84.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 122.681 0.393 . . . . 0.0 110.76 -178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.7 t -48.8 -62.65 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 123.651 0.781 . . . . 0.0 110.069 162.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.5 ttmt -48.94 -42.06 36.0 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 123.595 0.758 . . . . 0.0 112.464 -177.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.03 -47.48 91.63 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 123.897 0.879 . . . . 0.0 111.024 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.3 t90 -55.59 -49.09 73.67 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 118.236 0.471 . . . . 0.0 109.937 173.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -61.88 -35.75 79.25 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.669 1.187 . . . . 0.0 111.881 -178.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -67.24 -48.23 68.4 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 126.015 1.726 . . . . 0.0 110.944 177.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -68.72 -38.49 80.24 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 123.15 0.58 . . . . 0.0 110.799 -177.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 21.4 m80 -69.51 -48.17 61.42 Favored 'General case' 0 N--CA 1.457 -0.125 0 CA-C-O 119.036 -0.506 . . . . 0.0 111.117 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -61.38 -39.57 91.17 Favored 'General case' 0 C--N 1.343 0.289 0 CA-C-N 118.224 0.465 . . . . 0.0 110.758 177.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -57.9 -56.62 19.56 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 122.737 0.415 . . . . 0.0 110.832 176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -54.33 -55.0 32.82 Favored 'General case' 0 N--CA 1.449 -0.5 0 C-N-CA 123.638 0.775 . . . . 0.0 111.108 -175.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 3.9 ppp? -69.64 -32.13 70.63 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 118.59 -0.719 . . . . 0.0 112.737 -173.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 ptmm? -78.7 -33.86 46.55 Favored 'General case' 0 C--N 1.341 0.237 0 CA-C-N 119.016 0.825 . . . . 0.0 112.192 177.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.38 -49.83 73.96 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 173.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -57.35 -41.53 80.25 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.688 0.795 . . . . 0.0 110.403 171.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . 92.32 88.58 0.01 OUTLIER 'General case' 0 C--N 1.343 0.298 0 C-N-CA 128.521 2.728 . . . . 0.0 110.022 -177.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.01 21.87 1.75 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.497 1.119 . . . . 0.0 112.139 179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -90.79 16.09 9.96 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 123.529 0.732 . . . . 0.0 110.649 170.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -57.54 -24.78 58.03 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.003 1.321 . . . . 0.0 113.673 -170.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.55 -37.19 80.42 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.804 0.842 . . . . 0.0 112.288 176.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -115.1 -60.71 1.85 Allowed 'General case' 0 C--N 1.341 0.218 0 C-N-CA 124.519 1.128 . . . . 0.0 110.81 -174.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -95.0 -173.05 2.85 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.352 1.461 . . . . 0.0 109.19 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 126.876 2.07 . . . . 0.0 114.157 168.142 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 72.9 mtm . . . . . 0 N--CA 1.475 0.814 0 N-CA-C 111.352 0.13 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -78.29 73.17 4.85 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.131 0.972 . . . . 0.0 110.143 -177.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.0 tpt180 -152.97 103.79 2.78 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 178.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.9 pttm 42.97 42.47 3.13 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.215 1.806 . . . . 0.0 113.075 -173.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -67.91 157.83 34.06 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.431 0.692 . . . . 0.0 111.213 -178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 71.6 mtp85 -149.36 132.85 16.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.492 1.117 . . . . 0.0 109.565 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 84.8 t -79.51 -69.06 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.597 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 169.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.2 mt -83.94 164.17 19.54 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.418 1.087 . . . . 0.0 110.664 -179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -137.78 150.12 46.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.72 1.208 . . . . 0.0 109.376 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.6 p -94.09 176.58 6.27 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.485 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.7 mm100 -55.91 -44.31 78.13 Favored 'General case' 0 N--CA 1.445 -0.699 0 C-N-CA 124.219 1.008 . . . . 0.0 110.845 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.49 -49.79 75.36 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.587 0.755 . . . . 0.0 111.259 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -57.33 -57.76 11.22 Favored 'General case' 0 C--N 1.339 0.135 0 C-N-CA 123.31 0.644 . . . . 0.0 110.35 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.7 t -66.17 -36.62 77.87 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.316 0 C-N-CA 123.592 0.757 . . . . 0.0 110.587 -175.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -53.97 -53.92 46.19 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.595 0.634 . . . . 0.0 110.416 173.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -61.19 -44.27 97.56 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 122.806 0.442 . . . . 0.0 111.594 179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 32.2 mt -62.3 -47.92 82.14 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.735 0.814 . . . . 0.0 111.859 -178.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 81.0 mt-10 -67.55 -44.93 77.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.698 1.199 . . . . 0.0 112.028 177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 65.5 ttp85 -51.56 -46.6 63.48 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.842 0.857 . . . . 0.0 109.786 172.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 tpt180 -65.49 -43.15 91.05 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 123.206 0.603 . . . . 0.0 110.814 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -57.94 -37.86 74.89 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.193 0.597 . . . . 0.0 111.581 179.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -68.55 -45.18 72.83 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.505 0.722 . . . . 0.0 111.498 174.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 15.3 tp60 -75.78 -61.14 2.02 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 124.911 1.284 . . . . 0.0 112.123 -169.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -149.37 97.23 2.62 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.09 1.756 . . . . 0.0 106.913 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.44 -61.22 2.23 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 123.531 0.733 . . . . 0.0 109.742 -171.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -76.11 98.53 4.38 Favored 'General case' 0 CA--C 1.53 0.185 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 mp -69.85 123.94 22.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.117 -0.697 . . . . 0.0 109.117 173.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 62.7 p -72.62 177.83 4.48 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.796 0.838 . . . . 0.0 110.081 176.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.86 -53.0 35.35 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -178.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -70.27 -47.37 0.79 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 CA-C-N 121.394 1.533 . . . . 0.0 110.66 179.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -55.08 -40.86 70.83 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.991 1.317 . . . . 0.0 112.148 -175.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 ptm85 -73.68 -32.58 64.02 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -175.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.84 -42.94 76.47 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.821 0.448 . . . . 0.0 110.261 170.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -57.89 -51.6 68.93 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 122.8 0.44 . . . . 0.0 110.597 176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.8 tp -58.29 -56.21 25.02 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.93 0.892 . . . . 0.0 109.172 175.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -51.86 -41.38 61.8 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.819 0.848 . . . . 0.0 111.983 -174.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 31.0 t -68.19 -54.11 20.18 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.724 0.81 . . . . 0.0 111.041 174.147 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 49.0 ttm -57.28 -60.14 4.06 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 125.368 1.467 . . . . 0.0 111.75 -174.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.404 ' CD1' HD13 ' A' ' 40' ' ' LEU . 11.4 pt -69.56 -49.64 57.46 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 123.333 0.653 . . . . 0.0 109.883 -175.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . 0.25 75.5 m80 102.6 78.5 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 130.376 3.47 . . . . 0.0 112.138 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD13 ' CD1' ' A' ' 38' ' ' ILE . 2.8 mp -147.52 -177.52 5.75 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 130.147 3.379 . . . . 0.0 107.421 178.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -105.87 156.2 37.04 Favored Pre-proline 0 CA--C 1.535 0.377 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 170.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -56.11 -30.2 78.01 Favored 'Trans proline' 0 N--CA 1.461 -0.439 0 C-N-CA 122.747 2.298 . . . . 0.0 113.122 177.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.1 m -70.07 -53.56 16.93 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.072 0.949 . . . . 0.0 110.573 176.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -63.39 -38.0 89.47 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 123.56 0.744 . . . . 0.0 110.967 -177.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 37.3 t -49.24 -62.73 0.44 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 C-N-CA 124.702 1.201 . . . . 0.0 109.689 164.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -51.37 -42.14 61.15 Favored 'General case' 0 C--N 1.341 0.221 0 C-N-CA 123.472 0.709 . . . . 0.0 112.424 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 79.3 mt -58.37 -53.37 47.26 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 C-N-CA 123.426 0.691 . . . . 0.0 110.228 178.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.9 t90 -56.32 -44.1 79.64 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 118.112 0.415 . . . . 0.0 111.239 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -59.7 -44.69 93.59 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.293 1.037 . . . . 0.0 111.678 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.46 -49.51 77.05 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 124.158 0.983 . . . . 0.0 110.404 172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -58.85 -40.78 85.28 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.097 0.959 . . . . 0.0 112.208 -173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -64.61 -44.11 91.6 Favored 'General case' 0 C--N 1.342 0.25 0 CA-C-N 118.538 0.608 . . . . 0.0 111.889 175.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -46.42 84.92 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.248 0.619 . . . . 0.0 110.148 176.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -60.68 -47.64 85.37 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.843 0.857 . . . . 0.0 111.379 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -56.87 -56.26 23.92 Favored 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 123.926 0.89 . . . . 0.0 111.332 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 28.7 ptm -63.18 -40.18 96.78 Favored 'General case' 0 N--CA 1.446 -0.641 0 C-N-CA 123.409 0.684 . . . . 0.0 112.032 -173.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -37.8 65.24 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 117.979 0.354 . . . . 0.0 111.018 178.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -70.02 -67.28 0.5 Allowed 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.007 0.523 . . . . 0.0 110.317 -177.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.7 tt0 -168.72 111.96 0.56 Allowed 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.933 0.893 . . . . 0.0 108.927 -177.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -139.3 139.26 37.26 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.736 1.215 . . . . 0.0 108.942 173.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -141.3 84.77 1.93 Allowed 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 125.41 1.484 . . . . 0.0 107.472 175.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -60.4 -32.48 71.37 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.961 1.304 . . . . 0.0 112.644 -171.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.4 tmmm? 71.05 89.22 0.1 Allowed 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 125.948 1.699 . . . . 0.0 109.772 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -70.48 137.91 50.68 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.229 0.612 . . . . 0.0 110.1 175.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -171.12 -74.14 0.02 OUTLIER 'General case' 0 CA--C 1.527 0.093 0 C-N-CA 125.121 1.368 . . . . 0.0 107.883 178.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.92 -34.85 22.43 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.271 1.028 . . . . 0.0 109.778 164.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.12 0 C-N-CA 125.478 1.511 . . . . 0.0 109.708 168.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' MET . . . . . . . . . . . . . 50.1 tpp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -80.5 69.69 7.04 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.215 1.006 . . . . 0.0 109.99 -175.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.38 19.99 0.64 Allowed 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.966 0.906 . . . . 0.0 112.64 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 25.4 tptp -72.22 -46.45 56.04 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.593 0.757 . . . . 0.0 110.025 177.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 73.9 ttt-85 68.51 -73.54 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 C-N-CA 126.901 2.08 . . . . 0.0 111.016 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.5 ppt_? -81.72 68.49 8.1 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.125 0.97 . . . . 0.0 109.188 174.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 81.2 t -57.77 -67.06 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 125.894 1.677 . . . . 0.0 108.931 177.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.8 tp -145.72 92.17 2.19 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 172.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 59.26 178.76 0.08 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.073 1.749 . . . . 0.0 112.393 -172.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -152.82 165.14 36.34 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 124.383 1.073 . . . . 0.0 108.897 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -55.75 -47.03 77.66 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 123.924 0.89 . . . . 0.0 110.941 178.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.32 -50.87 71.21 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 123.892 0.877 . . . . 0.0 111.085 178.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -61.11 -49.13 78.55 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.595 0.758 . . . . 0.0 111.515 -175.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 91.5 t -60.35 -51.0 78.03 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.29 0 C-N-CA 124.313 1.045 . . . . 0.0 109.243 174.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -47.35 -49.87 23.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 119.127 0.876 . . . . 0.0 111.702 176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -60.15 -44.16 95.2 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.487 0.715 . . . . 0.0 111.306 175.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 28.1 mt -61.09 -60.22 4.11 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-O 117.961 -1.019 . . . . 0.0 111.563 -178.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -51.14 -45.87 61.81 Favored 'General case' 0 C--N 1.345 0.398 0 CA-C-N 119.959 1.254 . . . . 0.0 112.424 172.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -39.51 72.9 Favored 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 118.128 0.422 . . . . 0.0 111.749 179.627 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.48 -42.51 29.52 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -50.89 -42.06 58.82 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 125.373 1.469 . . . . 0.0 112.846 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.11 -5.79 46.12 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 179.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -104.21 -62.51 1.31 Allowed 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.619 1.568 . . . . 0.0 109.123 178.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -70.04 159.57 33.58 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.183 0.993 . . . . 0.0 111.107 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -81.62 -59.04 2.75 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 160.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -151.94 132.43 13.83 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.317 1.447 . . . . 0.0 108.778 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 mp -69.11 132.67 46.95 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 168.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.8 p -75.56 177.61 6.61 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.542 0.737 . . . . 0.0 110.316 176.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.82 -50.73 79.68 Favored Pre-proline 0 CA--C 1.54 0.567 0 N-CA-C 114.434 1.272 . . . . 0.0 114.434 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -72.53 -35.5 6.14 Favored 'Trans proline' 0 N--CA 1.46 -0.453 0 C-N-CA 121.78 1.654 . . . . 0.0 111.298 179.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 75.6 tt0 -65.33 -50.14 66.75 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.416 1.086 . . . . 0.0 111.378 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.75 -33.35 73.91 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.434 0.694 . . . . 0.0 110.78 176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -57.23 -54.46 46.51 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.044 0.938 . . . . 0.0 110.119 175.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -70.12 -34.79 73.54 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.8 -178.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.14 -47.76 74.65 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.201 172.284 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -52.41 -40.7 62.46 Favored 'General case' 0 C--N 1.341 0.218 0 CA-C-N 119.052 0.842 . . . . 0.0 112.263 -178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 33.2 t -67.88 -52.97 30.33 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.247 0.619 . . . . 0.0 111.04 174.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.0 mmm -60.65 -58.84 6.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.18 0.992 . . . . 0.0 112.048 -173.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 12.5 pt -64.22 -45.98 94.71 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.191 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 75.4 m80 95.48 110.8 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 130.373 3.469 . . . . 0.0 109.147 -177.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 mt 170.8 -179.37 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 130.892 3.677 . . . . 0.0 107.542 -175.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -96.59 148.03 33.83 Favored Pre-proline 0 N--CA 1.455 -0.21 0 N-CA-C 107.592 -1.262 . . . . 0.0 107.592 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -61.01 -21.65 72.21 Favored 'Trans proline' 0 N--CA 1.457 -0.647 0 C-N-CA 123.008 2.472 . . . . 0.0 112.964 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 53.7 m -76.84 -55.37 5.54 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.369 1.067 . . . . 0.0 110.398 174.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.5 tt0 -63.08 -38.84 92.79 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 122.899 0.48 . . . . 0.0 110.85 -177.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 16.0 t -43.92 -65.4 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.198 0 C-N-CA 124.469 1.108 . . . . 0.0 110.924 162.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -57.65 -38.38 74.96 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 118.254 -0.879 . . . . 0.0 111.486 -174.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 74.2 mt -61.4 -46.74 95.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 C-N-CA 123.804 0.841 . . . . 0.0 110.832 176.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 52.8 t90 -55.37 -48.75 73.8 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 118.419 0.554 . . . . 0.0 110.163 175.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -60.01 -43.12 95.46 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.604 1.162 . . . . 0.0 111.033 178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.78 -49.64 75.92 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 126.06 1.744 . . . . 0.0 110.717 175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -68.33 -45.37 73.08 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 122.875 0.47 . . . . 0.0 110.569 -174.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -64.75 -48.21 75.39 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.275 -179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -41.24 99.39 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.699 0.681 . . . . 0.0 110.767 177.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -63.43 -40.54 97.45 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 122.941 0.496 . . . . 0.0 111.989 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -60.02 -54.41 46.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 123.82 0.848 . . . . 0.0 109.845 -177.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.7 ptm -69.41 -29.77 67.57 Favored 'General case' 0 N--CA 1.448 -0.55 0 C-N-CA 123.112 0.565 . . . . 0.0 112.208 -178.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -73.81 -37.85 64.76 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.214 0.606 . . . . 0.0 110.938 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 25.7 ttm180 -65.02 -59.92 3.61 Favored 'General case' 0 C--N 1.342 0.261 0 C-N-CA 123.523 0.729 . . . . 0.0 109.299 173.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 36.14 61.91 0.73 Allowed 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.436 1.894 . . . . 0.0 113.419 -175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -70.69 84.37 0.63 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.976 0.911 . . . . 0.0 110.236 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp 72.18 115.61 0.05 Allowed 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 126.866 2.066 . . . . 0.0 109.971 -174.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.32 60.88 3.92 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.757 1.223 . . . . 0.0 110.376 -173.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mtpm? -80.33 74.29 7.17 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 123.802 0.841 . . . . 0.0 110.921 -175.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.44 -42.61 98.67 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.158 0.583 . . . . 0.0 109.64 165.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -119.98 179.8 4.15 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.471 1.508 . . . . 0.0 110.212 175.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -138.73 -7.29 1.45 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.573 1.149 . . . . 0.0 112.833 177.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 117.251 -1.357 . . . . 0.0 109.257 -172.765 . . . . . . . . 0 0 . 1 stop_ save_