data_1bku_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 1bku _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 ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.64 -0.219 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 119.942 -0.075 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 119.603 -0.237 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.179 0.038 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -103.94 -59.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.996 1.318 . . . . 0.0 109.601 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -141.21 -61.3 0.48 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.422 1.089 . . . . 0.0 109.597 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.84 -39.75 0.08 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.835 0.854 . . . . 0.0 111.954 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -64.37 -63.33 1.17 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.7 0.8 . . . . 0.0 110.223 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 m -58.65 -31.35 68.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.808 1.243 . . . . 0.0 111.535 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -66.74 -52.29 46.02 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.831 0.853 . . . . 0.0 110.756 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.05 -67.9 0.41 Allowed 'General case' 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.295 6.7 pt20 52.94 -71.84 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.268 2.627 . . . . 0.0 114.017 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.4 m -106.75 -51.37 2.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.813 1.645 . . . . 0.0 108.556 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 56.33 71.66 1.15 Allowed Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 125.709 1.604 . . . . 0.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -80.91 63.23 8.76 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.73 2.954 . . . . 0.0 108.546 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 54.19 64.88 1.67 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.979 1.311 . . . . 0.0 109.319 -168.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m 76.18 136.07 0.06 Allowed 'General case' 0 C--N 1.341 0.224 0 C-N-CA 126.715 2.006 . . . . 0.0 110.505 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.06 66.93 8.9 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.865 1.266 . . . . 0.0 109.811 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.4 t -74.14 -55.27 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.162 0.985 . . . . 0.0 109.289 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.18 -69.71 3.32 Favored Glycine 0 C--N 1.34 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.01 65.5 8.72 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.25 1.02 . . . . 0.0 109.889 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.34 -59.16 4.68 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.0 m -131.1 79.03 71.87 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.941 1.296 . . . . 0.0 107.559 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.97 -43.88 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.188 2.592 . . . . 0.0 111.378 -175.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 122.157 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m 57.91 -96.04 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.846 1.658 . . . . 0.0 111.784 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -69.39 120.9 15.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.045 0.938 . . . . 0.0 109.894 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.98 65.59 7.18 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.339 1.056 . . . . 0.0 109.451 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -145.99 -64.45 0.31 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.746 1.619 . . . . 0.0 107.168 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.6 m -65.6 -46.74 78.21 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -62.5 -50.06 72.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.887 0.875 . . . . 0.0 111.588 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.8 -29.41 68.58 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.34 -38.42 83.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.652 0.66 . . . . 0.0 110.821 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -84.84 72.51 10.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 163.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -53.82 145.54 31.1 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.93 1.292 . . . . 0.0 110.572 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.53 -35.59 7.83 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.419 2.746 . . . . 0.0 111.984 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.15 174.3 9.93 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.453 1.101 . . . . 0.0 110.831 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p 50.7 -104.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.199 2.2 . . . . 0.0 112.306 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -84.88 73.81 10.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.399 1.079 . . . . 0.0 108.975 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -57.27 -56.89 12.46 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 124.704 1.202 . . . . 0.0 110.542 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.8 -136.41 20.73 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.33 123.09 5.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.099 0.96 . . . . 0.0 109.136 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.73 112.25 3.55 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.3 m 55.34 74.5 0.71 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 125.287 1.435 . . . . 0.0 110.499 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.52 161.59 31.14 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.419 2.746 . . . . 0.0 110.962 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 CA-C-N 116.599 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -69.35 -53.99 16.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.546 0.738 . . . . 0.0 109.333 172.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -78.33 93.79 4.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.941 0.896 . . . . 0.0 109.24 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.77 64.57 8.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 109.09 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -148.01 -61.19 0.26 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.655 1.182 . . . . 0.0 108.59 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.9 m -68.32 -44.45 75.34 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.752 0.821 . . . . 0.0 109.626 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -62.96 -44.29 96.46 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.136 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.31 -8.64 52.03 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -95.79 -60.76 1.58 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -72.46 -50.95 22.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.212 1.405 . . . . 0.0 111.664 -170.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 55.89 75.74 0.56 Allowed Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 125.26 1.424 . . . . 0.0 110.236 -166.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.34 -53.14 4.43 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.907 3.071 . . . . 0.0 112.209 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 57.16 49.8 12.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.266 1.426 . . . . 0.0 110.699 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -139.89 -75.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.278 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -153.49 46.74 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 108.619 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 t 52.39 67.38 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.599 1.56 . . . . 0.0 110.395 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.7 66.23 3.76 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.03 125.75 8.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.66 1.184 . . . . 0.0 109.53 -170.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.72 -120.98 15.73 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.211 0.91 . . . . 0.0 110.936 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -63.75 3.43 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.682 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.71 164.69 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.213 1.942 . . . . 0.0 111.071 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 CA-C-N 116.532 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 69.66 -70.36 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.374 1.87 . . . . 0.0 110.611 -171.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -86.14 176.34 8.03 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.556 1.142 . . . . 0.0 110.265 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -86.27 -132.58 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.419 1.088 . . . . 0.0 108.202 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 55.02 -92.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.741 2.016 . . . . 0.0 112.481 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -57.93 -39.29 77.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.826 1.251 . . . . 0.0 110.754 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.74 -46.71 89.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.246 1.018 . . . . 0.0 111.146 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.04 -30.74 68.09 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.05 -54.56 20.37 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.499 0.59 . . . . 0.0 110.282 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -69.65 -39.5 77.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.99 0.916 . . . . 0.0 111.649 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -138.96 76.77 33.1 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 124.838 1.255 . . . . 0.0 109.268 -171.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.42 122.18 9.17 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.367 2.711 . . . . 0.0 110.278 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 63.15 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.795 1.638 . . . . 0.0 110.551 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -144.43 -178.75 6.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.607 1.563 . . . . 0.0 108.965 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -49.52 76.32 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.089 0.956 . . . . 0.0 110.186 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.74 125.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.943 1.297 . . . . 0.0 108.23 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.56 65.11 4.17 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.123 0.868 . . . . 0.0 111.522 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.22 -85.66 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.405 1.882 . . . . 0.0 111.689 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.42 -101.26 0.15 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.251 -1.94 . . . . 0.0 108.251 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -75.14 -40.64 3.69 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.12 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -81.02 164.86 19.77 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.123 1.794 . . . . 0.0 110.445 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.976 0.417 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -78.05 -61.43 2.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.609 0.764 . . . . 0.0 109.484 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -76.54 108.31 9.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.991 0.916 . . . . 0.0 109.241 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.4 mt -84.03 57.73 4.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.245 1.018 . . . . 0.0 110.149 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -147.72 -59.13 0.26 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.577 1.551 . . . . 0.0 107.188 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.7 m -61.92 -46.52 88.99 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.313 0.645 . . . . 0.0 109.753 170.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -59.75 -57.96 10.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -111.12 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 72.21 -69.59 0.18 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 126.034 1.734 . . . . 0.0 111.827 171.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.4 m -80.72 -63.41 1.41 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.202 1.401 . . . . 0.0 109.397 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 30.7 m-85 -163.87 -43.17 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.605 0 CA-C-O 116.807 -1.568 . . . . 0.0 114.237 -175.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 85.2 Cg_exo -59.36 103.3 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.091 2.527 . . . . 0.0 114.899 -167.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -170.86 -166.25 0.48 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.155 1.782 . . . . 0.0 108.394 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.9 m -51.24 -42.12 60.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.538 1.135 . . . . 0.0 110.393 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 67.98 66.84 0.35 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.549 1.54 . . . . 0.0 110.479 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -80.75 -74.75 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.899 0.88 . . . . 0.0 109.103 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 62.31 3.92 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.16 26.36 8.24 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.218 1.407 . . . . 0.0 111.919 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.0 -140.42 26.95 Favored Glycine 0 C--N 1.343 0.937 0 C-N-CA 124.642 1.115 . . . . 0.0 112.023 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -80.44 149.97 69.58 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 168.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.13 148.59 35.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.287 2.658 . . . . 0.0 110.718 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.276 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.754 0.312 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -89.68 -43.78 10.48 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.477 1.111 . . . . 0.0 110.847 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -70.6 -45.06 66.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 -172.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.3 42.17 28.21 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.71 1.204 . . . . 0.0 109.402 -166.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -159.55 -64.49 0.07 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 125.777 1.631 . . . . 0.0 107.294 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -62.67 -42.99 99.92 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.755 0.822 . . . . 0.0 109.06 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -54.61 -53.0 60.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.07 1.348 . . . . 0.0 110.856 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.5 -30.85 70.64 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.47 -62.86 1.28 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.257 0.623 . . . . 0.0 109.774 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -89.3 45.45 1.29 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.333 1.053 . . . . 0.0 110.216 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -67.61 -44.94 45.65 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.708 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -58.16 96.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.351 2.701 . . . . 0.0 112.652 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -142.51 -68.79 0.36 Allowed 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.687 1.595 . . . . 0.0 106.772 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -77.66 -55.07 5.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 163.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 72.42 150.17 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.671 1.988 . . . . 0.0 112.873 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.57 166.01 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.061 1.344 . . . . 0.0 109.365 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.9 170.72 43.64 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.29 166.48 32.23 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.239 1.015 . . . . 0.0 110.123 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.5 -64.91 0.05 OUTLIER Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.3 m -139.03 86.0 15.41 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.12 149.13 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.073 3.182 . . . . 0.0 112.858 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 CA-C-N 116.747 -0.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t 60.39 -90.46 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.972 1.709 . . . . 0.0 111.97 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -71.32 117.12 12.45 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.217 1.007 . . . . 0.0 109.271 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.48 61.39 5.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.321 1.049 . . . . 0.0 109.888 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -152.16 -60.46 0.16 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.104 1.761 . . . . 0.0 107.011 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.3 m -62.9 -45.58 91.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.161 0.985 . . . . 0.0 109.772 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t -59.71 -54.12 50.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.278 1.031 . . . . 0.0 111.411 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.2 -77.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 62.78 -81.77 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.842 2.057 . . . . 0.0 112.134 172.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.6 m -82.63 -48.66 10.69 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.635 1.174 . . . . 0.0 109.401 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.9 p90 42.06 75.74 0.59 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 126.636 1.974 . . . . 0.0 112.09 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.12 150.63 47.15 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.757 2.972 . . . . 0.0 113.143 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -76.62 75.19 3.31 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.925 1.29 . . . . 0.0 108.531 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p 48.89 75.59 0.14 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.271 1.828 . . . . 0.0 111.723 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 77.2 -57.93 0.51 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 126.898 2.079 . . . . 0.0 111.372 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.84 138.2 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.482 1.113 . . . . 0.0 108.289 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.64 -68.26 1.78 Allowed Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.92 68.1 0.33 Allowed 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.7 -58.52 5.01 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -169.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.5 m -71.61 132.43 85.43 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.53 141.27 41.67 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.2 2.6 . . . . 0.0 110.841 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 CA-C-N 116.729 -0.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -73.72 -51.16 17.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.761 0.824 . . . . 0.0 109.326 171.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -80.27 81.57 6.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.495 1.118 . . . . 0.0 109.577 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.64 71.72 4.13 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 124.635 1.174 . . . . 0.0 109.047 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -166.79 -63.64 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.621 1.568 . . . . 0.0 107.362 -175.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.1 p -64.15 -46.19 85.15 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.192 0.997 . . . . 0.0 109.65 170.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.73 -43.37 96.73 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.205 1.002 . . . . 0.0 111.182 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -78.46 -88.93 0.05 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 74.38 -69.91 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.541 1.937 . . . . 0.0 111.507 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -90.67 18.77 6.01 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.672 1.189 . . . . 0.0 111.979 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 p90 42.12 63.73 6.5 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.588 1.555 . . . . 0.0 111.443 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.24 168.42 18.56 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.753 2.968 . . . . 0.0 113.107 -167.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -66.63 -36.72 83.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.798 1.639 . . . . 0.0 111.655 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -138.78 174.76 10.19 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.162 1.385 . . . . 0.0 109.59 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -61.81 108.18 0.97 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.702 0.801 . . . . 0.0 109.687 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 t 56.69 65.06 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.18 1.392 . . . . 0.0 109.431 -170.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.64 87.91 1.55 Allowed Glycine 0 C--N 1.339 0.739 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.98 76.44 7.93 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.059 0.944 . . . . 0.0 110.368 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.27 43.51 0.04 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 t -165.77 141.85 4.28 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.652 1.181 . . . . 0.0 108.655 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -73.34 160.46 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.025 2.483 . . . . 0.0 110.988 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 CA-C-N 116.438 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.705 0.288 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -69.28 100.17 1.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.413 1.085 . . . . 0.0 109.884 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.52 -139.86 0.5 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.862 1.265 . . . . 0.0 110.286 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.99 45.83 1.98 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.811 1.245 . . . . 0.0 109.229 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -147.55 -62.8 0.27 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.833 1.253 . . . . 0.0 108.363 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -64.52 -40.56 95.86 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.536 0.734 . . . . 0.0 109.562 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.96 -49.01 76.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.27 -65.9 0.64 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 64.35 -94.63 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.756 1.622 . . . . 0.0 111.164 171.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.6 m -65.24 -32.01 73.46 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.833 1.253 . . . . 0.0 110.335 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . 0.354 28.6 m-85 125.48 -68.6 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 130.212 3.405 . . . . 0.0 111.824 165.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -64.2 -57.4 0.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.962 1.774 . . . . 0.0 110.016 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -161.01 162.05 31.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.099 1.36 . . . . 0.0 108.119 169.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -72.47 91.5 1.39 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.35 129.66 43.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.372 1.069 . . . . 0.0 110.219 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t 63.08 88.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.403 1.481 . . . . 0.0 108.917 -170.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.04 61.58 0.98 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.36 62.26 7.32 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.556 1.142 . . . . 0.0 109.608 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.62 -69.58 1.36 Allowed Glycine 0 C--N 1.34 0.767 0 C-N-CA 124.194 0.902 . . . . 0.0 111.145 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.9 m -61.49 -53.07 65.33 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.986 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.67 66.79 8.76 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.644 2.23 . . . . 0.0 109.961 167.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 O-C-N 121.844 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -69.12 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.536 0.734 . . . . 0.0 109.763 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -75.55 115.75 15.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 mt -83.09 61.44 6.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.159 0.984 . . . . 0.0 109.606 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -161.02 -55.28 0.05 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.006 1.722 . . . . 0.0 107.377 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -61.52 -46.13 91.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.541 0.737 . . . . 0.0 109.455 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.13 -45.22 93.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.767 0.827 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.94 -27.52 57.61 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -61.17 -44.94 96.51 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.264 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -74.14 -103.01 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -179.0 -39.95 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.417 1.487 . . . . 0.0 113.492 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.11 -46.05 11.11 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.096 1.864 . . . . 0.0 112.353 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 71.87 -70.73 0.15 Allowed 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.622 1.969 . . . . 0.0 109.494 -171.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.8 m -70.72 121.55 18.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 167.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 58.72 66.52 1.06 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.798 1.239 . . . . 0.0 109.499 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.92 134.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 125.324 1.45 . . . . 0.0 112.268 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.1 165.08 8.96 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.169 0.89 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.52 -59.96 2.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.316 0.646 . . . . 0.0 109.373 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.16 78.59 1.95 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.8 m -65.35 126.61 91.78 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.952 0.901 . . . . 0.0 110.141 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.62 -45.05 0.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.053 2.502 . . . . 0.0 111.347 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.013 0 O-C-N 122.204 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.64 -0.219 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 119.942 -0.075 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 119.603 -0.237 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.179 0.038 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -103.94 -59.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.996 1.318 . . . . 0.0 109.601 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -141.21 -61.3 0.48 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.422 1.089 . . . . 0.0 109.597 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.84 -39.75 0.08 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.835 0.854 . . . . 0.0 111.954 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -64.37 -63.33 1.17 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.7 0.8 . . . . 0.0 110.223 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 m -58.65 -31.35 68.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.808 1.243 . . . . 0.0 111.535 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -66.74 -52.29 46.02 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.831 0.853 . . . . 0.0 110.756 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.05 -67.9 0.41 Allowed 'General case' 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.295 6.7 pt20 52.94 -71.84 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.268 2.627 . . . . 0.0 114.017 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.4 m -106.75 -51.37 2.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.813 1.645 . . . . 0.0 108.556 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 56.33 71.66 1.15 Allowed Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 125.709 1.604 . . . . 0.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -80.91 63.23 8.76 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.73 2.954 . . . . 0.0 108.546 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 54.19 64.88 1.67 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.979 1.311 . . . . 0.0 109.319 -168.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m 76.18 136.07 0.06 Allowed 'General case' 0 C--N 1.341 0.224 0 C-N-CA 126.715 2.006 . . . . 0.0 110.505 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.06 66.93 8.9 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.865 1.266 . . . . 0.0 109.811 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.4 t -74.14 -55.27 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.162 0.985 . . . . 0.0 109.289 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.18 -69.71 3.32 Favored Glycine 0 C--N 1.34 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.01 65.5 8.72 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.25 1.02 . . . . 0.0 109.889 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.34 -59.16 4.68 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.0 m -131.1 79.03 71.87 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.941 1.296 . . . . 0.0 107.559 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.97 -43.88 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.188 2.592 . . . . 0.0 111.378 -175.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 122.157 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m 57.91 -96.04 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.846 1.658 . . . . 0.0 111.784 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -69.39 120.9 15.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.045 0.938 . . . . 0.0 109.894 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.98 65.59 7.18 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.339 1.056 . . . . 0.0 109.451 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -145.99 -64.45 0.31 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.746 1.619 . . . . 0.0 107.168 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.6 m -65.6 -46.74 78.21 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -62.5 -50.06 72.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.887 0.875 . . . . 0.0 111.588 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.8 -29.41 68.58 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.34 -38.42 83.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.652 0.66 . . . . 0.0 110.821 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -84.84 72.51 10.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 163.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -53.82 145.54 31.1 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.93 1.292 . . . . 0.0 110.572 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.53 -35.59 7.83 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.419 2.746 . . . . 0.0 111.984 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.15 174.3 9.93 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.453 1.101 . . . . 0.0 110.831 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p 50.7 -104.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.199 2.2 . . . . 0.0 112.306 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -84.88 73.81 10.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.399 1.079 . . . . 0.0 108.975 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -57.27 -56.89 12.46 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 124.704 1.202 . . . . 0.0 110.542 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.8 -136.41 20.73 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.33 123.09 5.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.099 0.96 . . . . 0.0 109.136 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.73 112.25 3.55 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.3 m 55.34 74.5 0.71 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 125.287 1.435 . . . . 0.0 110.499 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.52 161.59 31.14 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.419 2.746 . . . . 0.0 110.962 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 CA-C-N 116.599 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -69.35 -53.99 16.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.546 0.738 . . . . 0.0 109.333 172.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -78.33 93.79 4.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.941 0.896 . . . . 0.0 109.24 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.77 64.57 8.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 109.09 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -148.01 -61.19 0.26 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.655 1.182 . . . . 0.0 108.59 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.9 m -68.32 -44.45 75.34 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.752 0.821 . . . . 0.0 109.626 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -62.96 -44.29 96.46 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.136 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.31 -8.64 52.03 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -95.79 -60.76 1.58 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -72.46 -50.95 22.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.212 1.405 . . . . 0.0 111.664 -170.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 55.89 75.74 0.56 Allowed Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 125.26 1.424 . . . . 0.0 110.236 -166.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.34 -53.14 4.43 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.907 3.071 . . . . 0.0 112.209 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 57.16 49.8 12.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.266 1.426 . . . . 0.0 110.699 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -139.89 -75.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.278 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -153.49 46.74 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 108.619 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 t 52.39 67.38 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.599 1.56 . . . . 0.0 110.395 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.7 66.23 3.76 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.03 125.75 8.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.66 1.184 . . . . 0.0 109.53 -170.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.72 -120.98 15.73 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.211 0.91 . . . . 0.0 110.936 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -63.75 3.43 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.682 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.71 164.69 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.213 1.942 . . . . 0.0 111.071 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 CA-C-N 116.532 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 69.66 -70.36 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.374 1.87 . . . . 0.0 110.611 -171.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -86.14 176.34 8.03 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.556 1.142 . . . . 0.0 110.265 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -86.27 -132.58 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.419 1.088 . . . . 0.0 108.202 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 55.02 -92.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.741 2.016 . . . . 0.0 112.481 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -57.93 -39.29 77.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.826 1.251 . . . . 0.0 110.754 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.74 -46.71 89.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.246 1.018 . . . . 0.0 111.146 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.04 -30.74 68.09 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.05 -54.56 20.37 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.499 0.59 . . . . 0.0 110.282 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -69.65 -39.5 77.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.99 0.916 . . . . 0.0 111.649 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -138.96 76.77 33.1 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 124.838 1.255 . . . . 0.0 109.268 -171.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.42 122.18 9.17 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.367 2.711 . . . . 0.0 110.278 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 63.15 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.795 1.638 . . . . 0.0 110.551 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -144.43 -178.75 6.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.607 1.563 . . . . 0.0 108.965 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -49.52 76.32 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.089 0.956 . . . . 0.0 110.186 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.74 125.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.943 1.297 . . . . 0.0 108.23 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.56 65.11 4.17 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.123 0.868 . . . . 0.0 111.522 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.22 -85.66 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.405 1.882 . . . . 0.0 111.689 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.42 -101.26 0.15 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.251 -1.94 . . . . 0.0 108.251 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -75.14 -40.64 3.69 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.12 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -81.02 164.86 19.77 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.123 1.794 . . . . 0.0 110.445 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.976 0.417 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -78.05 -61.43 2.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.609 0.764 . . . . 0.0 109.484 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -76.54 108.31 9.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.991 0.916 . . . . 0.0 109.241 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.4 mt -84.03 57.73 4.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.245 1.018 . . . . 0.0 110.149 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -147.72 -59.13 0.26 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.577 1.551 . . . . 0.0 107.188 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.7 m -61.92 -46.52 88.99 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.313 0.645 . . . . 0.0 109.753 170.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -59.75 -57.96 10.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -111.12 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 72.21 -69.59 0.18 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 126.034 1.734 . . . . 0.0 111.827 171.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.4 m -80.72 -63.41 1.41 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.202 1.401 . . . . 0.0 109.397 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.466 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 30.7 m-85 -163.87 -43.17 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.605 0 CA-C-O 116.807 -1.568 . . . . 0.0 114.237 -175.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.466 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 85.2 Cg_exo -59.36 103.3 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.091 2.527 . . . . 0.0 114.899 -167.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -170.86 -166.25 0.48 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.155 1.782 . . . . 0.0 108.394 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.9 m -51.24 -42.12 60.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.538 1.135 . . . . 0.0 110.393 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 67.98 66.84 0.35 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.549 1.54 . . . . 0.0 110.479 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -80.75 -74.75 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.899 0.88 . . . . 0.0 109.103 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 62.31 3.92 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.16 26.36 8.24 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.218 1.407 . . . . 0.0 111.919 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.0 -140.42 26.95 Favored Glycine 0 C--N 1.343 0.937 0 C-N-CA 124.642 1.115 . . . . 0.0 112.023 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -80.44 149.97 69.58 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 168.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.13 148.59 35.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.287 2.658 . . . . 0.0 110.718 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.276 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.754 0.312 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -89.68 -43.78 10.48 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.477 1.111 . . . . 0.0 110.847 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -70.6 -45.06 66.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 -172.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.3 42.17 28.21 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.71 1.204 . . . . 0.0 109.402 -166.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -159.55 -64.49 0.07 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 125.777 1.631 . . . . 0.0 107.294 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -62.67 -42.99 99.92 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.755 0.822 . . . . 0.0 109.06 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -54.61 -53.0 60.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.07 1.348 . . . . 0.0 110.856 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.5 -30.85 70.64 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.47 -62.86 1.28 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.257 0.623 . . . . 0.0 109.774 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -89.3 45.45 1.29 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.333 1.053 . . . . 0.0 110.216 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -67.61 -44.94 45.65 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.708 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -58.16 96.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.351 2.701 . . . . 0.0 112.652 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -142.51 -68.79 0.36 Allowed 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.687 1.595 . . . . 0.0 106.772 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -77.66 -55.07 5.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 163.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 72.42 150.17 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.671 1.988 . . . . 0.0 112.873 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.57 166.01 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.061 1.344 . . . . 0.0 109.365 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.9 170.72 43.64 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.29 166.48 32.23 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.239 1.015 . . . . 0.0 110.123 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.5 -64.91 0.05 OUTLIER Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.3 m -139.03 86.0 15.41 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.12 149.13 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.073 3.182 . . . . 0.0 112.858 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 CA-C-N 116.747 -0.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t 60.39 -90.46 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.972 1.709 . . . . 0.0 111.97 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -71.32 117.12 12.45 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.217 1.007 . . . . 0.0 109.271 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.48 61.39 5.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.321 1.049 . . . . 0.0 109.888 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -152.16 -60.46 0.16 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.104 1.761 . . . . 0.0 107.011 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.3 m -62.9 -45.58 91.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.161 0.985 . . . . 0.0 109.772 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t -59.71 -54.12 50.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.278 1.031 . . . . 0.0 111.411 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.2 -77.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 62.78 -81.77 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.842 2.057 . . . . 0.0 112.134 172.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.6 m -82.63 -48.66 10.69 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.635 1.174 . . . . 0.0 109.401 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.9 p90 42.06 75.74 0.59 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 126.636 1.974 . . . . 0.0 112.09 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.12 150.63 47.15 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.757 2.972 . . . . 0.0 113.143 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -76.62 75.19 3.31 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.925 1.29 . . . . 0.0 108.531 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p 48.89 75.59 0.14 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.271 1.828 . . . . 0.0 111.723 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 77.2 -57.93 0.51 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 126.898 2.079 . . . . 0.0 111.372 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.84 138.2 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.482 1.113 . . . . 0.0 108.289 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.64 -68.26 1.78 Allowed Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.92 68.1 0.33 Allowed 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.7 -58.52 5.01 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -169.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.5 m -71.61 132.43 85.43 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.53 141.27 41.67 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.2 2.6 . . . . 0.0 110.841 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 CA-C-N 116.729 -0.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -73.72 -51.16 17.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.761 0.824 . . . . 0.0 109.326 171.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -80.27 81.57 6.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.495 1.118 . . . . 0.0 109.577 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.64 71.72 4.13 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 124.635 1.174 . . . . 0.0 109.047 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -166.79 -63.64 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.621 1.568 . . . . 0.0 107.362 -175.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.1 p -64.15 -46.19 85.15 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.192 0.997 . . . . 0.0 109.65 170.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.73 -43.37 96.73 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.205 1.002 . . . . 0.0 111.182 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -78.46 -88.93 0.05 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 74.38 -69.91 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.541 1.937 . . . . 0.0 111.507 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -90.67 18.77 6.01 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.672 1.189 . . . . 0.0 111.979 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 p90 42.12 63.73 6.5 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.588 1.555 . . . . 0.0 111.443 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.24 168.42 18.56 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.753 2.968 . . . . 0.0 113.107 -167.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -66.63 -36.72 83.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.798 1.639 . . . . 0.0 111.655 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -138.78 174.76 10.19 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.162 1.385 . . . . 0.0 109.59 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -61.81 108.18 0.97 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.702 0.801 . . . . 0.0 109.687 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 t 56.69 65.06 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.18 1.392 . . . . 0.0 109.431 -170.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.64 87.91 1.55 Allowed Glycine 0 C--N 1.339 0.739 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.98 76.44 7.93 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.059 0.944 . . . . 0.0 110.368 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.27 43.51 0.04 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 t -165.77 141.85 4.28 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.652 1.181 . . . . 0.0 108.655 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -73.34 160.46 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.025 2.483 . . . . 0.0 110.988 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 CA-C-N 116.438 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.705 0.288 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -69.28 100.17 1.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.413 1.085 . . . . 0.0 109.884 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.52 -139.86 0.5 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.862 1.265 . . . . 0.0 110.286 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.99 45.83 1.98 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.811 1.245 . . . . 0.0 109.229 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -147.55 -62.8 0.27 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.833 1.253 . . . . 0.0 108.363 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -64.52 -40.56 95.86 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.536 0.734 . . . . 0.0 109.562 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.96 -49.01 76.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.27 -65.9 0.64 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 64.35 -94.63 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.756 1.622 . . . . 0.0 111.164 171.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.6 m -65.24 -32.01 73.46 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.833 1.253 . . . . 0.0 110.335 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . 0.354 28.6 m-85 125.48 -68.6 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 130.212 3.405 . . . . 0.0 111.824 165.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -64.2 -57.4 0.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.962 1.774 . . . . 0.0 110.016 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -161.01 162.05 31.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.099 1.36 . . . . 0.0 108.119 169.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -72.47 91.5 1.39 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.35 129.66 43.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.372 1.069 . . . . 0.0 110.219 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t 63.08 88.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.403 1.481 . . . . 0.0 108.917 -170.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.04 61.58 0.98 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.36 62.26 7.32 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.556 1.142 . . . . 0.0 109.608 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.62 -69.58 1.36 Allowed Glycine 0 C--N 1.34 0.767 0 C-N-CA 124.194 0.902 . . . . 0.0 111.145 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.9 m -61.49 -53.07 65.33 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.986 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.67 66.79 8.76 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.644 2.23 . . . . 0.0 109.961 167.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 O-C-N 121.844 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -69.12 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.536 0.734 . . . . 0.0 109.763 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -75.55 115.75 15.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 mt -83.09 61.44 6.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.159 0.984 . . . . 0.0 109.606 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -161.02 -55.28 0.05 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.006 1.722 . . . . 0.0 107.377 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -61.52 -46.13 91.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.541 0.737 . . . . 0.0 109.455 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.13 -45.22 93.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.767 0.827 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.94 -27.52 57.61 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -61.17 -44.94 96.51 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.264 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -74.14 -103.01 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -179.0 -39.95 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.417 1.487 . . . . 0.0 113.492 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.11 -46.05 11.11 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.096 1.864 . . . . 0.0 112.353 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 71.87 -70.73 0.15 Allowed 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.622 1.969 . . . . 0.0 109.494 -171.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.8 m -70.72 121.55 18.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 167.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 58.72 66.52 1.06 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.798 1.239 . . . . 0.0 109.499 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.92 134.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 125.324 1.45 . . . . 0.0 112.268 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.1 165.08 8.96 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.169 0.89 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.52 -59.96 2.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.316 0.646 . . . . 0.0 109.373 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.16 78.59 1.95 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.8 m -65.35 126.61 91.78 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.952 0.901 . . . . 0.0 110.141 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.62 -45.05 0.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.053 2.502 . . . . 0.0 111.347 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.013 0 O-C-N 122.204 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 119.875 -0.107 . . . . 0.0 110.756 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt . . . . . 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 119.129 -0.462 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp . . . . . 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 119.64 -0.219 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp . . . . . 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 119.942 -0.075 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.2 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 119.647 -0.216 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 119.603 -0.237 . . . . 0.0 111.411 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt . . . . . 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 119.47 -0.3 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t . . . . . 0 CA--C 1.531 0.229 0 N-CA-C 111.387 0.143 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t . . . . . 0 CA--C 1.53 0.193 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 44.6 t . . . . . 0 N--CA 1.473 0.68 0 CA-C-O 120.179 0.038 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.3 m -103.94 -59.88 1.66 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.996 1.318 . . . . 0.0 109.601 -177.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -141.21 -61.3 0.48 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 124.422 1.089 . . . . 0.0 109.597 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -155.84 -39.75 0.08 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.835 0.854 . . . . 0.0 111.954 -179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.6 p -64.37 -63.33 1.17 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.7 0.8 . . . . 0.0 110.223 -178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.6 m -58.65 -31.35 68.06 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.808 1.243 . . . . 0.0 111.535 178.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 39.9 m -66.74 -52.29 46.02 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.831 0.853 . . . . 0.0 110.756 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.69 -47.82 84.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 C-N-CA 123.893 0.877 . . . . 0.0 110.475 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 79.3 mt -57.39 -44.31 84.39 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.259 0.624 . . . . 0.0 110.857 177.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.56 -44.22 98.26 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.364 0.983 . . . . 0.0 111.945 177.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.4 ttpt -61.43 -50.47 72.67 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 124.172 0.989 . . . . 0.0 110.867 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 75.1 mt -62.15 -43.33 99.07 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 124.103 0.961 . . . . 0.0 111.064 179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 36.5 t -61.0 -43.33 99.05 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 123.715 0.806 . . . . 0.0 111.077 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -66.81 -39.78 87.82 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.678 0.791 . . . . 0.0 111.121 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -62.2 -49.04 77.36 Favored 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.635 0.774 . . . . 0.0 109.735 177.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tt -57.55 -47.23 82.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.569 1.148 . . . . 0.0 110.591 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -61.19 -41.73 97.34 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.007 0.923 . . . . 0.0 111.695 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -44.17 88.91 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.887 0.875 . . . . 0.0 110.569 178.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 91.1 mt -66.05 -67.9 0.41 Allowed 'General case' 0 C--N 1.341 0.222 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . 0.295 6.7 pt20 52.94 -71.84 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 128.268 2.627 . . . . 0.0 114.017 -174.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.4 m -106.75 -51.37 2.95 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 125.813 1.645 . . . . 0.0 108.556 175.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.3 t80 56.33 71.66 1.15 Allowed Pre-proline 0 CA--C 1.534 0.365 0 C-N-CA 125.709 1.604 . . . . 0.0 111.462 -179.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -80.91 63.23 8.76 Favored 'Trans proline' 0 N--CA 1.455 -0.791 0 C-N-CA 123.73 2.954 . . . . 0.0 108.546 173.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 54.19 64.88 1.67 Allowed 'General case' 0 C--N 1.342 0.271 0 C-N-CA 124.979 1.311 . . . . 0.0 109.319 -168.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 19.5 m 76.18 136.07 0.06 Allowed 'General case' 0 C--N 1.341 0.224 0 C-N-CA 126.715 2.006 . . . . 0.0 110.505 -173.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -83.06 66.93 8.9 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 124.865 1.266 . . . . 0.0 109.811 -176.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 66.4 t -74.14 -55.27 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.162 0.985 . . . . 0.0 109.289 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.18 -69.71 3.32 Favored Glycine 0 C--N 1.34 0.761 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.01 65.5 8.72 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 124.25 1.02 . . . . 0.0 109.889 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -72.34 -59.16 4.68 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 50.0 m -131.1 79.03 71.87 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 124.941 1.296 . . . . 0.0 107.559 175.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -72.97 -43.88 0.69 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.188 2.592 . . . . 0.0 111.378 -175.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.007 0 O-C-N 122.157 -0.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.472 0.656 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m 57.91 -96.04 0.06 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.846 1.658 . . . . 0.0 111.784 177.71 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 31.9 m120 -69.39 120.9 15.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.045 0.938 . . . . 0.0 109.894 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.2 mt -81.98 65.59 7.18 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.339 1.056 . . . . 0.0 109.451 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t -145.99 -64.45 0.31 Allowed 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 125.746 1.619 . . . . 0.0 107.168 178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.6 m -65.6 -46.74 78.21 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 169.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 53.5 t -62.5 -50.06 72.88 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.887 0.875 . . . . 0.0 111.588 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 4.9 p -66.33 -42.84 91.37 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 CA-C-N 118.007 0.367 . . . . 0.0 111.455 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 86.0 mt -62.57 -44.55 96.05 Favored 'General case' 0 C--N 1.343 0.289 0 C-N-CA 123.11 0.564 . . . . 0.0 110.41 175.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.66 -44.54 93.97 Favored Glycine 0 CA--C 1.53 1.002 0 C-N-CA 123.634 0.635 . . . . 0.0 111.845 176.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -62.33 -58.61 7.07 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.385 1.074 . . . . 0.0 110.397 -177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.21 -34.4 78.27 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 119.402 -0.332 . . . . 0.0 111.882 -176.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.6 t -62.63 -50.49 71.02 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 122.935 0.494 . . . . 0.0 110.375 176.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.7 tp60 -63.74 -38.07 89.74 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.624 0.77 . . . . 0.0 111.317 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.23 -52.69 61.19 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 110.513 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.61 -46.61 88.46 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.199 0.999 . . . . 0.0 110.978 178.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -55.08 -52.8 62.09 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.228 1.011 . . . . 0.0 110.83 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.4 ttpp -57.47 -55.85 29.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 125.023 1.329 . . . . 0.0 111.469 -176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.8 -29.41 68.58 Favored 'General case' 0 C--O 1.226 -0.166 0 CA-C-O 118.821 -0.609 . . . . 0.0 112.131 -177.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -60.34 -38.42 83.74 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 118.652 0.66 . . . . 0.0 110.821 176.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 9.8 t -84.84 72.51 10.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 163.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -53.82 145.54 31.1 Favored Pre-proline 0 CA--C 1.535 0.369 0 C-N-CA 124.93 1.292 . . . . 0.0 110.572 176.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.53 -35.59 7.83 Favored 'Trans proline' 0 N--CA 1.454 -0.802 0 C-N-CA 123.419 2.746 . . . . 0.0 111.984 -174.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -130.15 174.3 9.93 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 124.453 1.101 . . . . 0.0 110.831 -174.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p 50.7 -104.48 0.16 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 127.199 2.2 . . . . 0.0 112.306 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -84.88 73.81 10.59 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.399 1.079 . . . . 0.0 108.975 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 74.3 t -57.27 -56.89 12.46 Favored 'Isoleucine or valine' 0 C--N 1.34 0.193 0 C-N-CA 124.704 1.202 . . . . 0.0 110.542 -177.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 74.8 -136.41 20.73 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -155.33 123.09 5.69 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.099 0.96 . . . . 0.0 109.136 -178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -75.73 112.25 3.55 Favored Glycine 0 C--N 1.338 0.673 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.3 m 55.34 74.5 0.71 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 125.287 1.435 . . . . 0.0 110.499 178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -77.52 161.59 31.14 Favored 'Trans proline' 0 N--CA 1.455 -0.74 0 C-N-CA 123.419 2.746 . . . . 0.0 110.962 -175.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.057 0 CA-C-N 116.599 -0.273 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 95.4 m . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 111.498 0.185 . . . . 0.0 111.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.8 t -69.35 -53.99 16.77 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.546 0.738 . . . . 0.0 109.333 172.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -78.33 93.79 4.73 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.941 0.896 . . . . 0.0 109.24 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -84.77 64.57 8.65 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.047 0.939 . . . . 0.0 109.09 176.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 m -148.01 -61.19 0.26 Allowed 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 124.655 1.182 . . . . 0.0 108.59 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 62.9 m -68.32 -44.45 75.34 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.752 0.821 . . . . 0.0 109.626 174.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.8 t -62.96 -44.29 96.46 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.085 0.954 . . . . 0.0 111.136 176.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.6 t -62.11 -48.72 87.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 C-N-CA 123.852 0.861 . . . . 0.0 110.486 178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 61.7 tp -58.41 -46.29 86.72 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 124.178 0.991 . . . . 0.0 110.672 177.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.35 -42.47 99.78 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 123.702 0.668 . . . . 0.0 111.901 178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -63.95 -57.39 9.9 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.934 0.893 . . . . 0.0 110.73 -178.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.44 -35.59 79.76 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 119.196 -0.431 . . . . 0.0 111.871 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.0 t -61.8 -53.25 58.5 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 123.139 0.576 . . . . 0.0 110.167 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -52.78 -47.62 67.39 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.693 0.797 . . . . 0.0 111.087 178.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.57 -56.02 21.81 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.978 0.911 . . . . 0.0 111.843 -178.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.6 -33.91 77.04 Favored 'General case' 0 C--N 1.342 0.282 0 CA-C-N 118.355 0.525 . . . . 0.0 112.247 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -70.48 -42.15 71.78 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.954 0.502 . . . . 0.0 110.872 173.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.8 ttpm? -64.71 -46.87 80.46 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.654 0.781 . . . . 0.0 111.575 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.3 pp -70.31 -8.64 52.03 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -95.79 -60.76 1.58 Allowed 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -72.46 -50.95 22.41 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.212 1.405 . . . . 0.0 111.664 -170.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 55.89 75.74 0.56 Allowed Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 125.26 1.424 . . . . 0.0 110.236 -166.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -58.34 -53.14 4.43 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.907 3.071 . . . . 0.0 112.209 -176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.3 mtp85 57.16 49.8 12.92 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 125.266 1.426 . . . . 0.0 110.699 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.5 p -139.89 -75.83 0.34 Allowed 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.324 1.45 . . . . 0.0 108.278 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -153.49 46.74 0.65 Allowed 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.627 1.171 . . . . 0.0 108.619 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 t 52.39 67.38 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 C-N-CA 125.599 1.56 . . . . 0.0 110.395 -177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -80.7 66.23 3.76 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 109.366 -1.493 . . . . 0.0 109.366 172.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -152.03 125.75 8.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.66 1.184 . . . . 0.0 109.53 -170.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 66.72 -120.98 15.73 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 124.211 0.91 . . . . 0.0 110.936 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -63.75 3.43 Favored Pre-proline 0 CA--C 1.538 0.485 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.682 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -71.71 164.69 34.86 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 122.213 1.942 . . . . 0.0 111.071 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.027 0 CA-C-N 116.532 -0.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 41.8 m . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 111.96 0.355 . . . . 0.0 111.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 69.66 -70.36 0.15 Allowed 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 126.374 1.87 . . . . 0.0 110.611 -171.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -86.14 176.34 8.03 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.556 1.142 . . . . 0.0 110.265 175.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.4 mt -86.27 -132.58 0.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.419 1.088 . . . . 0.0 108.202 172.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 t 55.02 -92.32 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 126.741 2.016 . . . . 0.0 112.481 174.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.9 m -57.93 -39.29 77.67 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.826 1.251 . . . . 0.0 110.754 178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.7 t -60.74 -46.71 89.38 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.246 1.018 . . . . 0.0 111.146 177.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 92.0 t -66.83 -51.77 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 124.259 1.024 . . . . 0.0 110.133 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.8 mt -57.03 -44.2 82.64 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.607 1.163 . . . . 0.0 110.975 177.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.5 -51.05 61.1 Favored Glycine 0 CA--C 1.528 0.898 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -57.27 -55.09 39.27 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.121 0.969 . . . . 0.0 111.324 -177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -65.36 -36.78 85.04 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 119.193 -0.432 . . . . 0.0 111.941 -177.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 45.8 t -62.99 -47.78 81.66 Favored 'General case' 0 C--N 1.342 0.279 0 C-N-CA 123.241 0.617 . . . . 0.0 110.865 178.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -61.17 -46.09 91.95 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.769 0.828 . . . . 0.0 110.589 176.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -59.14 -58.36 8.96 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.028 0.931 . . . . 0.0 111.214 -176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 pp -62.17 -34.97 77.41 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 122.968 0.507 . . . . 0.0 111.835 -177.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -64.26 -52.9 56.38 Favored 'General case' 0 C--N 1.342 0.24 0 C-N-CA 122.919 0.487 . . . . 0.0 110.728 176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -58.07 -49.1 78.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.1 0.96 . . . . 0.0 111.646 -175.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -70.04 -30.74 68.09 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -67.05 -54.56 20.37 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.499 0.59 . . . . 0.0 110.282 178.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 67.2 p -69.65 -39.5 77.05 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.99 0.916 . . . . 0.0 111.649 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -138.96 76.77 33.1 Favored Pre-proline 0 CA--C 1.535 0.404 0 C-N-CA 124.838 1.255 . . . . 0.0 109.268 -171.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -68.42 122.18 9.17 Favored 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 123.367 2.711 . . . . 0.0 110.278 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 63.15 -90.76 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.795 1.638 . . . . 0.0 110.551 -179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 40.0 p -144.43 -178.75 6.14 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.607 1.563 . . . . 0.0 108.965 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -49.52 76.32 Favored 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 124.089 0.956 . . . . 0.0 110.186 172.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -135.74 125.84 42.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.943 1.297 . . . . 0.0 108.23 173.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -82.56 65.11 4.17 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 124.123 0.868 . . . . 0.0 111.522 -174.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 61.22 -85.66 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.405 1.882 . . . . 0.0 111.689 178.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -168.42 -101.26 0.15 Allowed Glycine 0 C--N 1.338 0.678 0 N-CA-C 108.251 -1.94 . . . . 0.0 108.251 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 62.6 p -75.14 -40.64 3.69 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-O 117.206 -1.378 . . . . 0.0 113.12 174.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -81.02 164.86 19.77 Favored 'Trans proline' 0 C--N 1.352 0.737 0 CA-C-N 122.123 1.794 . . . . 0.0 110.445 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 122.283 -0.261 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 N--CA 1.474 0.739 0 CA-C-O 120.976 0.417 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.9 m -78.05 -61.43 2.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.609 0.764 . . . . 0.0 109.484 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -76.54 108.31 9.44 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.991 0.916 . . . . 0.0 109.241 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 54.4 mt -84.03 57.73 4.34 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.245 1.018 . . . . 0.0 110.149 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -147.72 -59.13 0.26 Allowed 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 125.577 1.551 . . . . 0.0 107.188 174.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 89.7 m -61.92 -46.52 88.99 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.313 0.645 . . . . 0.0 109.753 170.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.4 t -59.75 -57.96 10.63 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-O 119.076 -0.488 . . . . 0.0 111.004 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.15 -39.72 83.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 122.906 0.482 . . . . 0.0 112.131 -171.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 77.7 mt -59.52 -42.52 92.44 Favored 'General case' 0 C--N 1.342 0.273 0 C-N-CA 123.07 0.548 . . . . 0.0 110.622 172.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.32 -51.28 59.51 Favored Glycine 0 CA--C 1.53 0.98 0 C-N-CA 123.655 0.645 . . . . 0.0 111.711 174.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -58.53 -52.88 63.78 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.253 1.021 . . . . 0.0 111.372 -176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.68 -33.81 75.65 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-O 119.041 -0.504 . . . . 0.0 112.043 -177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -64.29 -47.2 80.41 Favored 'General case' 0 C--N 1.343 0.292 0 C-N-CA 123.35 0.66 . . . . 0.0 110.572 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -60.06 -42.62 94.93 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.835 0.854 . . . . 0.0 110.74 175.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -58.54 -47.73 83.21 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 123.889 0.876 . . . . 0.0 111.509 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -73.79 9.6 1.42 Allowed 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 49.1 m-70 -116.57 -30.47 5.83 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.385 1.474 . . . . 0.0 110.461 167.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -54.71 -55.32 31.02 Favored 'General case' 0 C--N 1.343 0.298 0 C-N-CA 125.406 1.482 . . . . 0.0 109.743 -179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.66 -111.12 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 168.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 72.21 -69.59 0.18 Allowed 'General case' 0 C--N 1.341 0.223 0 C-N-CA 126.034 1.734 . . . . 0.0 111.827 171.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.4 m -80.72 -63.41 1.41 Allowed 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 125.202 1.401 . . . . 0.0 109.397 177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.466 ' H ' ' CD ' ' A' ' 23' ' ' PRO . 30.7 m-85 -163.87 -43.17 0.0 OUTLIER Pre-proline 0 CA--C 1.541 0.605 0 CA-C-O 116.807 -1.568 . . . . 0.0 114.237 -175.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.466 ' CD ' ' H ' ' A' ' 22' ' ' TYR . 85.2 Cg_exo -59.36 103.3 0.18 Allowed 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 123.091 2.527 . . . . 0.0 114.899 -167.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -170.86 -166.25 0.48 Allowed 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.155 1.782 . . . . 0.0 108.394 175.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 58.9 m -51.24 -42.12 60.8 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.538 1.135 . . . . 0.0 110.393 172.3 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 t70 67.98 66.84 0.35 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.549 1.54 . . . . 0.0 110.479 169.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.3 t -80.75 -74.75 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 C-N-CA 123.899 0.88 . . . . 0.0 109.103 -176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 62.31 3.92 Favored Glycine 0 C--N 1.341 0.81 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 55.16 26.36 8.24 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.218 1.407 . . . . 0.0 111.919 -169.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 52.0 -140.42 26.95 Favored Glycine 0 C--N 1.343 0.937 0 C-N-CA 124.642 1.115 . . . . 0.0 112.023 -175.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 44.3 p -80.44 149.97 69.58 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 123.846 0.859 . . . . 0.0 108.712 168.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -75.13 148.59 35.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 123.287 2.658 . . . . 0.0 110.718 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 122.276 -0.265 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 120.754 0.312 . . . . 0.0 110.647 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 t -89.68 -43.78 10.48 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.477 1.111 . . . . 0.0 110.847 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 -70.6 -45.06 66.03 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.284 1.034 . . . . 0.0 111.987 -172.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp 56.3 42.17 28.21 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.71 1.204 . . . . 0.0 109.402 -166.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 m -159.55 -64.49 0.07 Allowed 'General case' 0 C--N 1.34 0.189 0 C-N-CA 125.777 1.631 . . . . 0.0 107.294 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.4 m -62.67 -42.99 99.92 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.755 0.822 . . . . 0.0 109.06 168.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.7 t -54.61 -53.0 60.45 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.07 1.348 . . . . 0.0 110.856 172.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.4 t -59.04 -50.34 80.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 C-N-CA 124.075 0.95 . . . . 0.0 110.791 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.6 mt -57.19 -42.8 81.92 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.09 0.956 . . . . 0.0 111.176 176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -59.76 -48.43 86.09 Favored Glycine 0 CA--C 1.529 0.944 0 C-N-CA 123.855 0.74 . . . . 0.0 111.865 177.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -61.49 -53.84 51.22 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.374 1.07 . . . . 0.0 111.356 -177.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -67.09 -35.38 79.67 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.191 -0.433 . . . . 0.0 111.839 -177.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.3 t -63.48 -47.56 81.26 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.317 0.508 . . . . 0.0 110.455 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -59.8 -44.09 94.12 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.209 1.003 . . . . 0.0 110.972 177.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -62.26 -52.23 64.54 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.101 0.96 . . . . 0.0 110.984 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 63.2 mt -59.08 -43.55 91.82 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.147 0.979 . . . . 0.0 111.055 179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -62.76 -44.52 95.98 Favored 'General case' 0 CA--C 1.53 0.207 0 C-N-CA 122.784 0.433 . . . . 0.0 111.259 176.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -59.42 -54.2 49.44 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.821 0.848 . . . . 0.0 110.939 -176.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -67.5 -30.85 70.64 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 122.9 0.48 . . . . 0.0 112.255 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -65.47 -62.86 1.28 Allowed 'General case' 0 C--N 1.341 0.22 0 C-N-CA 123.257 0.623 . . . . 0.0 109.774 176.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 73.0 p -89.3 45.45 1.29 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.333 1.053 . . . . 0.0 110.216 179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -67.61 -44.94 45.65 Favored Pre-proline 0 CA--C 1.537 0.448 0 CA-C-O 117.242 -1.361 . . . . 0.0 112.708 177.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -58.16 96.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 123.351 2.701 . . . . 0.0 112.652 -176.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.5 mtp-105 -142.51 -68.79 0.36 Allowed 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 125.687 1.595 . . . . 0.0 106.772 -177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 91.1 m -77.66 -55.07 5.66 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 163.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 t70 72.42 150.17 0.1 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 126.671 1.988 . . . . 0.0 112.873 172.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.6 m -135.57 166.01 28.72 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 125.061 1.344 . . . . 0.0 109.365 172.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.9 170.72 43.64 Favored Glycine 0 CA--C 1.528 0.894 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -158.29 166.48 32.23 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 124.239 1.015 . . . . 0.0 110.123 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -173.5 -64.91 0.05 OUTLIER Glycine 0 C--N 1.338 0.681 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.3 m -139.03 86.0 15.41 Favored Pre-proline 0 CA--C 1.534 0.341 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 175.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -56.12 149.13 55.42 Favored 'Trans proline' 0 N--CA 1.458 -0.595 0 C-N-CA 124.073 3.182 . . . . 0.0 112.858 179.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.032 0 CA-C-N 116.747 -0.206 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 52.1 t . . . . . 0 N--CA 1.473 0.687 0 CA-C-O 119.479 -0.296 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.7 t 60.39 -90.46 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.972 1.709 . . . . 0.0 111.97 176.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -71.32 117.12 12.45 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.217 1.007 . . . . 0.0 109.271 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.48 61.39 5.61 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.321 1.049 . . . . 0.0 109.888 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -152.16 -60.46 0.16 Allowed 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 126.104 1.761 . . . . 0.0 107.011 177.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 57.3 m -62.9 -45.58 91.87 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 124.161 0.985 . . . . 0.0 109.772 171.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t -59.71 -54.12 50.07 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.278 1.031 . . . . 0.0 111.411 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.66 -41.71 91.11 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 123.451 0.7 . . . . 0.0 111.882 -175.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.7 mt -61.17 -46.03 92.18 Favored 'General case' 0 C--N 1.343 0.301 0 CA-C-N 118.301 0.5 . . . . 0.0 110.361 175.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -57.0 -45.91 91.88 Favored Glycine 0 CA--C 1.529 0.955 0 C-N-CA 123.563 0.602 . . . . 0.0 111.668 176.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -63.59 -53.44 51.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.277 1.031 . . . . 0.0 111.037 -176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.39 -36.48 81.4 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 119.303 -0.379 . . . . 0.0 111.757 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.7 m -63.05 -48.43 78.74 Favored 'General case' 0 C--N 1.341 0.232 0 CA-C-N 118.202 0.455 . . . . 0.0 110.478 176.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.16 -48.39 76.39 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.415 1.086 . . . . 0.0 110.744 175.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -64.19 -48.17 76.97 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 123.942 0.897 . . . . 0.0 111.125 -174.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 68.7 mt -62.09 -41.83 98.59 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.765 0.826 . . . . 0.0 111.023 178.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 57.1 t-80 -66.39 -38.22 87.02 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.317 0.647 . . . . 0.0 111.687 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -65.6 -49.55 68.34 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.04 0.936 . . . . 0.0 110.239 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.2 -77.08 0.08 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.696 0.798 . . . . 0.0 109.111 177.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 62.78 -81.77 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 126.842 2.057 . . . . 0.0 112.134 172.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 86.6 m -82.63 -48.66 10.69 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.635 1.174 . . . . 0.0 109.401 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 39.9 p90 42.06 75.74 0.59 Allowed Pre-proline 0 CA--C 1.537 0.452 0 C-N-CA 126.636 1.974 . . . . 0.0 112.09 -174.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -56.12 150.63 47.15 Favored 'Trans proline' 0 N--CA 1.457 -0.668 0 C-N-CA 123.757 2.972 . . . . 0.0 113.143 -178.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -76.62 75.19 3.31 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.925 1.29 . . . . 0.0 108.531 171.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 80.8 p 48.89 75.59 0.14 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 126.271 1.828 . . . . 0.0 111.723 -177.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 77.2 -57.93 0.51 Allowed 'General case' 0 C--N 1.342 0.268 0 C-N-CA 126.898 2.079 . . . . 0.0 111.372 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.9 t -58.84 138.2 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.241 0 C-N-CA 124.482 1.113 . . . . 0.0 108.289 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -58.64 -68.26 1.78 Allowed Glycine 0 CA--C 1.528 0.886 0 N-CA-C 111.544 -0.622 . . . . 0.0 111.544 -175.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -160.92 68.1 0.33 Allowed 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.7 -58.52 5.01 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 109.266 -1.534 . . . . 0.0 109.266 -169.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.5 m -71.61 132.43 85.43 Favored Pre-proline 0 CA--C 1.536 0.442 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 169.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -70.53 141.27 41.67 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.2 2.6 . . . . 0.0 110.841 -178.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.004 0 CA-C-N 116.729 -0.214 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 68.4 m . . . . . 0 N--CA 1.473 0.679 0 N-CA-C 111.587 0.217 . . . . 0.0 111.587 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t -73.72 -51.16 17.48 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.761 0.824 . . . . 0.0 109.326 171.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 33.2 m120 -80.27 81.57 6.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.495 1.118 . . . . 0.0 109.577 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.7 mt -77.64 71.72 4.13 Favored 'General case' 0 C--N 1.34 0.195 0 C-N-CA 124.635 1.174 . . . . 0.0 109.047 176.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.8 p -166.79 -63.64 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.621 1.568 . . . . 0.0 107.362 -175.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.1 p -64.15 -46.19 85.15 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.192 0.997 . . . . 0.0 109.65 170.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -63.73 -43.37 96.73 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.205 1.002 . . . . 0.0 111.182 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.07 -52.8 56.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.227 0 C-N-CA 123.489 0.716 . . . . 0.0 110.251 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.6 -40.15 78.43 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.563 0.745 . . . . 0.0 111.224 176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -58.61 -49.23 79.21 Favored Glycine 0 CA--C 1.529 0.967 0 C-N-CA 124.091 0.853 . . . . 0.0 111.912 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.83 -44.81 95.16 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.466 1.106 . . . . 0.0 111.239 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.2 mt -62.37 -52.64 62.8 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.399 0.68 . . . . 0.0 110.688 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -59.48 -41.69 90.39 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.385 0.674 . . . . 0.0 111.606 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.01 -47.94 84.1 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 124.127 0.971 . . . . 0.0 110.81 177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -62.26 -47.99 81.9 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.882 0.873 . . . . 0.0 111.059 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 61.0 mt -60.92 -41.3 95.9 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.096 0.958 . . . . 0.0 111.244 179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.3 -48.76 72.0 Favored 'General case' 0 CA--C 1.532 0.269 0 C-N-CA 123.348 0.659 . . . . 0.0 110.965 176.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -57.75 -46.95 83.81 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 125.015 1.326 . . . . 0.0 110.99 -177.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.2 mt -78.46 -88.93 0.05 Allowed 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 176.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 74.38 -69.91 0.17 Allowed 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 126.541 1.937 . . . . 0.0 111.507 177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.5 t -90.67 18.77 6.01 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.672 1.189 . . . . 0.0 111.979 -177.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.6 p90 42.12 63.73 6.5 Favored Pre-proline 0 CA--C 1.538 0.504 0 C-N-CA 125.588 1.555 . . . . 0.0 111.443 -169.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -80.24 168.42 18.56 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 123.753 2.968 . . . . 0.0 113.107 -167.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 30.2 ptt-85 -66.63 -36.72 83.25 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.798 1.639 . . . . 0.0 111.655 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 13.8 t -138.78 174.76 10.19 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.162 1.385 . . . . 0.0 109.59 -179.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -61.81 108.18 0.97 Allowed 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.702 0.801 . . . . 0.0 109.687 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 t 56.69 65.06 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 125.18 1.392 . . . . 0.0 109.431 -170.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.64 87.91 1.55 Allowed Glycine 0 C--N 1.339 0.739 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 176.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -80.98 76.44 7.93 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.059 0.944 . . . . 0.0 110.368 -176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 172.27 43.51 0.04 OUTLIER Glycine 0 CA--C 1.528 0.884 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 176.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.2 t -165.77 141.85 4.28 Favored Pre-proline 0 CA--C 1.535 0.399 0 C-N-CA 124.652 1.181 . . . . 0.0 108.655 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -73.34 160.46 44.81 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.025 2.483 . . . . 0.0 110.988 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.043 0 CA-C-N 116.438 -0.346 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.472 0.653 0 CA-C-O 120.705 0.288 . . . . 0.0 110.713 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.0 m -69.28 100.17 1.29 Allowed 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.413 1.085 . . . . 0.0 109.884 178.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.5 m120 61.52 -139.86 0.5 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.862 1.265 . . . . 0.0 110.286 179.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -138.99 45.83 1.98 Allowed 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 124.811 1.245 . . . . 0.0 109.229 176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.2 m -147.55 -62.8 0.27 Allowed 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.833 1.253 . . . . 0.0 108.363 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.5 m -64.52 -40.56 95.86 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.536 0.734 . . . . 0.0 109.562 172.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.0 t -56.96 -49.01 76.98 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.629 1.172 . . . . 0.0 111.387 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.15 -53.59 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 123.879 0.871 . . . . 0.0 110.283 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 73.4 mt -56.96 -40.35 76.3 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.926 0.891 . . . . 0.0 111.163 177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -60.53 -46.6 94.07 Favored Glycine 0 CA--C 1.528 0.892 0 C-N-CA 124.154 0.883 . . . . 0.0 111.704 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -66.02 -42.58 89.48 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.575 0.75 . . . . 0.0 111.146 -178.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 81.2 mt -63.04 -46.76 86.01 Favored 'General case' 0 CA--C 1.529 0.153 0 C-N-CA 123.465 0.706 . . . . 0.0 110.519 177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.5 t -57.8 -47.96 81.1 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.633 0.773 . . . . 0.0 110.961 177.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 10.6 tm0? -56.59 -48.47 77.36 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.653 1.181 . . . . 0.0 111.006 176.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.64 -47.15 82.51 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 124.187 0.995 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 64.1 mt -63.33 -41.96 98.93 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 123.91 0.884 . . . . 0.0 111.042 178.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -65.32 -40.82 94.22 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.781 0.832 . . . . 0.0 111.342 178.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -67.6 -62.21 1.53 Allowed 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.649 1.18 . . . . 0.0 110.582 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 87.6 mt -68.27 -65.9 0.64 Allowed 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.565 0.746 . . . . 0.0 109.525 -176.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 64.35 -94.63 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 125.756 1.622 . . . . 0.0 111.164 171.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 92.6 m -65.24 -32.01 73.46 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 124.833 1.253 . . . . 0.0 110.335 173.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . 0.354 28.6 m-85 125.48 -68.6 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.379 0 C-N-CA 130.212 3.405 . . . . 0.0 111.824 165.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -64.2 -57.4 0.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.962 1.774 . . . . 0.0 110.016 173.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 8.6 ptt-85 -161.01 162.05 31.68 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.099 1.36 . . . . 0.0 108.119 169.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -72.47 91.5 1.39 Allowed 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 173.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -59.35 129.66 43.14 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.372 1.069 . . . . 0.0 110.219 -175.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 38.7 t 63.08 88.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 125.403 1.481 . . . . 0.0 108.917 -170.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 96.04 61.58 0.98 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -176.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -86.36 62.26 7.32 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.556 1.142 . . . . 0.0 109.608 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -70.62 -69.58 1.36 Allowed Glycine 0 C--N 1.34 0.767 0 C-N-CA 124.194 0.902 . . . . 0.0 111.145 -173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.9 m -61.49 -53.07 65.33 Favored Pre-proline 0 CA--C 1.539 0.523 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.986 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -79.67 66.79 8.76 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 122.644 2.23 . . . . 0.0 109.961 167.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.025 0 O-C-N 121.844 -0.535 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 35.8 t . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 120.932 0.396 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -75.1 -69.12 0.49 Allowed 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.536 0.734 . . . . 0.0 109.763 -176.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -75.55 115.75 15.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.817 -0.809 . . . . 0.0 108.817 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.0 mt -83.09 61.44 6.04 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 124.159 0.984 . . . . 0.0 109.606 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.4 t -161.02 -55.28 0.05 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 126.006 1.722 . . . . 0.0 107.377 178.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 90.6 m -61.52 -46.13 91.26 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.541 0.737 . . . . 0.0 109.455 168.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 43.7 t -60.13 -45.22 93.74 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.767 0.827 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.54 -53.24 49.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 123.98 0.912 . . . . 0.0 110.38 -177.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.6 mt -57.65 -45.92 84.87 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 124.196 0.999 . . . . 0.0 110.901 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -56.79 -48.84 74.96 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 123.674 0.654 . . . . 0.0 111.663 177.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.6 -55.93 28.26 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.889 -177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.39 -36.25 82.38 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 119.209 -0.424 . . . . 0.0 112.038 -175.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 75.0 m -63.14 -45.57 91.32 Favored 'General case' 0 C--N 1.341 0.228 0 C-N-CA 123.175 0.59 . . . . 0.0 110.928 178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -65.34 -44.9 86.28 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 122.665 0.386 . . . . 0.0 110.869 175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.85 -54.34 45.8 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.927 0.891 . . . . 0.0 111.314 -177.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.59 -35.99 82.43 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 119.069 -0.491 . . . . 0.0 111.642 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -65.29 -43.89 89.7 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.318 0.647 . . . . 0.0 111.481 -179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -55.07 -54.78 38.78 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.803 1.241 . . . . 0.0 111.464 179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.0 pp -75.94 -27.52 57.61 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -61.17 -44.94 96.51 Favored 'General case' 0 C--N 1.343 0.304 0 CA-C-N 118.612 0.642 . . . . 0.0 110.264 177.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -74.14 -103.01 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 53.9 p90 -179.0 -39.95 0.0 OUTLIER Pre-proline 0 CA--C 1.539 0.535 0 C-N-CA 125.417 1.487 . . . . 0.0 113.492 -178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.11 -46.05 11.11 Favored 'Trans proline' 0 C--N 1.351 0.693 0 C-N-CA 122.096 1.864 . . . . 0.0 112.353 -174.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.9 mtm-85 71.87 -70.73 0.15 Allowed 'General case' 0 C--N 1.342 0.276 0 C-N-CA 126.622 1.969 . . . . 0.0 109.494 -171.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 88.8 m -70.72 121.55 18.17 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 167.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 58.72 66.52 1.06 Allowed 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.798 1.239 . . . . 0.0 109.499 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -54.92 134.85 18.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 125.324 1.45 . . . . 0.0 112.268 -171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.1 165.08 8.96 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 124.169 0.89 . . . . 0.0 112.423 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.52 -59.96 2.77 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.316 0.646 . . . . 0.0 109.373 175.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -82.16 78.59 1.95 Allowed Glycine 0 C--N 1.34 0.76 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 173.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.8 m -65.35 126.61 91.78 Favored Pre-proline 0 CA--C 1.534 0.355 0 C-N-CA 123.952 0.901 . . . . 0.0 110.141 -175.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.62 -45.05 0.84 Allowed 'Trans proline' 0 N--CA 1.456 -0.718 0 C-N-CA 123.053 2.502 . . . . 0.0 111.347 -177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.013 0 O-C-N 122.204 -0.31 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_