data_1edl_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 1edl _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 ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 119.487 -0.292 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.146 0.022 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.039 -0.029 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.391 0.138 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo . . . . . 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -78.9 71.5 5.37 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.996 0.918 . . . . 0.0 110.558 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -161.14 -161.27 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.822 1.649 . . . . 0.0 107.945 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.13 56.73 1.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.345 1.058 . . . . 0.0 110.445 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.8 -23.14 67.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.628 0.771 . . . . 0.0 112.886 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.2 -32.29 55.29 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.37 1.068 . . . . 0.0 112.135 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.75 -56.4 6.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.788 0.435 . . . . 0.0 110.109 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 36.98 0.88 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.955 0.902 . . . . 0.0 111.746 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -59.82 -42.38 93.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.927 0.891 . . . . 0.0 112.611 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.37 70.16 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.378 0.535 . . . . 0.0 110.524 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -56.1 -48.79 75.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.086 0.954 . . . . 0.0 110.431 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -58.11 -45.08 87.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 111.636 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.36 -47.16 87.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.363 0.665 . . . . 0.0 110.37 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.95 -41.98 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 118.38 0.537 . . . . 0.0 111.059 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.76 -51.55 69.27 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.534 0.606 . . . . 0.0 110.554 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -83.72 64.82 8.21 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.434 1.093 . . . . 0.0 110.485 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.7 mtt -132.69 120.1 16.44 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 125.646 1.578 . . . . 0.0 106.999 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.37 -33.57 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.338 2.692 . . . . 0.0 113.478 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -89.26 -17.68 28.52 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.91 -40.04 76.71 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -59.56 -30.46 68.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.101 0.561 . . . . 0.0 112.4 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -89.61 39.95 0.97 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -65.44 -57.33 8.57 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.01 0.524 . . . . 0.0 110.27 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -89.81 11.05 21.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.65 126.44 92.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 119.126 0.876 . . . . 0.0 109.737 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.68 -49.92 15.58 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.471 2.781 . . . . 0.0 113.122 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.49 -175.25 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.38 -48.67 48.51 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.533 0.733 . . . . 0.0 110.741 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -134.49 77.45 1.69 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.297 1.039 . . . . 0.0 109.347 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.81 66.84 7.55 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.583 0.753 . . . . 0.0 109.291 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.65 -28.79 69.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.566 0.746 . . . . 0.0 111.718 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -46.5 86.49 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.257 0.623 . . . . 0.0 110.772 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -67.46 -44.4 78.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.404 0.682 . . . . 0.0 110.326 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -51.85 -52.57 48.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.453 1.101 . . . . 0.0 109.72 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -58.02 -44.81 87.5 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.988 . . . . 0.0 111.143 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -54.09 50.64 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.289 0.495 . . . . 0.0 111.194 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -60.56 -50.41 73.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.538 0.335 . . . . 0.0 111.435 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.8 -53.93 34.55 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.506 1.122 . . . . 0.0 111.423 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -54.76 -54.33 43.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.423 0.689 . . . . 0.0 110.442 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.7 -41.78 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 122.866 0.466 . . . . 0.0 111.518 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.12 -41.82 97.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.886 0.474 . . . . 0.0 111.464 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -79.43 -29.01 41.69 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.007 0.923 . . . . 0.0 113.415 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.6 mtt -46.71 110.45 1.26 Allowed Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 125.268 1.427 . . . . 0.0 111.222 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -77.84 -25.47 7.64 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.282 2.655 . . . . 0.0 113.614 -169.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.75 -15.04 35.71 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.533 0.606 . . . . 0.0 111.519 -170.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -82.58 58.2 6.39 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.4 p -142.67 -54.28 0.41 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.17 0.988 . . . . 0.0 109.74 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -89.14 51.98 2.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -62.75 -42.76 99.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.768 1.227 . . . . 0.0 110.272 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.29 9.37 26.22 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 139.46 93.97 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.05 0.841 . . . . 0.0 110.292 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.43 -44.24 4.89 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.997 2.465 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.224 -1.37 . . . . 0.0 109.264 175.446 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 179.87 3.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.863 0.865 . . . . 0.0 111.076 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -53.67 -66.1 0.45 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.102 0.961 . . . . 0.0 110.396 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -164.27 113.31 1.17 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.217 1.007 . . . . 0.0 108.334 171.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.85 -32.95 65.8 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.334 0.653 . . . . 0.0 111.835 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.44 38.0 0.76 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.809 0.844 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.36 -69.82 0.28 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -50.32 -40.47 48.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.16 1.384 . . . . 0.0 112.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.38 -52.37 64.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 110.502 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.1 83.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.985 0.514 . . . . 0.0 111.462 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -53.18 -54.1 40.81 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.258 0.623 . . . . 0.0 110.685 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -57.61 -46.28 84.28 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.231 0.612 . . . . 0.0 111.346 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.35 -47.81 82.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.234 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.88 -45.52 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.219 0.608 . . . . 0.0 110.97 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.71 -43.74 90.18 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.183 0.447 . . . . 0.0 110.792 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.29 68.46 8.72 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.855 0.862 . . . . 0.0 110.41 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.5 mtt -133.67 82.27 51.26 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 124.082 0.953 . . . . 0.0 109.899 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -23.22 33.33 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 125.125 3.883 . . . . 0.0 115.562 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -88.12 -29.47 20.56 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.672 0.669 . . . . 0.0 109.911 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.01 -33.51 41.41 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 p -57.36 -41.91 81.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.144 0.978 . . . . 0.0 111.24 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -89.64 42.62 1.1 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.906 0.883 . . . . 0.0 110.927 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -61.32 -53.01 62.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.91 0.884 . . . . 0.0 110.335 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -89.3 48.35 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 144.29 90.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.244 0.617 . . . . 0.0 109.987 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.711 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 59.3 Cg_endo -67.68 -40.75 9.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.146 2.564 . . . . 0.0 111.319 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.711 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 66.6 tttm . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.519 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -61.9 110.87 1.68 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.702 0.801 . . . . 0.0 109.647 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.6 t60 55.05 61.33 2.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.029 1.332 . . . . 0.0 110.881 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.24 27.55 1.04 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.517 0.727 . . . . 0.0 111.337 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.16 -26.94 68.39 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.187 0.595 . . . . 0.0 111.632 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.99 -37.91 75.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.926 0.89 . . . . 0.0 111.462 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -75.93 -43.51 44.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.393 0.677 . . . . 0.0 109.64 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.43 -18.58 51.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.827 0.851 . . . . 0.0 112.101 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -50.51 -37.34 38.4 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.434 1.094 . . . . 0.0 112.739 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.28 86.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.624 0.37 . . . . 0.0 110.808 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -63.39 -44.21 95.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.834 0.854 . . . . 0.0 110.254 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -54.36 -51.26 65.35 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 109.922 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.68 -51.81 67.34 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.918 0.487 . . . . 0.0 111.223 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -55.12 -40.56 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 122.876 0.47 . . . . 0.0 111.563 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.03 -43.34 83.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.844 0.458 . . . . 0.0 111.291 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -64.71 -37.74 88.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.894 0.878 . . . . 0.0 112.299 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.1 mtt -46.39 109.53 1.03 Allowed Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 125.304 1.442 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.54 -21.59 8.61 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.423 2.748 . . . . 0.0 113.702 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -88.56 -21.52 24.04 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.611 0.641 . . . . 0.0 110.634 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.4 -36.0 93.04 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.2 p -52.21 -43.81 64.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.702 1.201 . . . . 0.0 111.24 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -93.97 28.82 2.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.249 1.019 . . . . 0.0 111.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -57.64 -54.38 47.48 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.596 0.635 . . . . 0.0 110.977 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -89.41 9.97 24.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.09 140.07 88.08 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 119.063 0.847 . . . . 0.0 110.141 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.27 -44.12 5.27 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.988 2.459 . . . . 0.0 110.718 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.177 -1.392 . . . . 0.0 109.427 175.812 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -76.37 85.43 3.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.844 0.858 . . . . 0.0 109.186 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -82.5 -152.51 0.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.751 1.221 . . . . 0.0 108.873 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -78.24 74.34 4.79 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -36.38 78.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.699 0.8 . . . . 0.0 111.474 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.33 64.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.257 0.48 . . . . 0.0 110.954 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.72 -45.95 87.61 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.503 0.721 . . . . 0.0 111.068 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.89 -57.61 10.91 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.895 0.878 . . . . 0.0 110.216 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.63 -36.52 76.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.028 0.931 . . . . 0.0 111.512 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.34 -54.67 33.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.665 0.666 . . . . 0.0 111.271 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -58.38 -48.44 80.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.228 0.467 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.11 -47.82 74.48 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.387 1.075 . . . . 0.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -55.4 -57.22 12.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.081 0.952 . . . . 0.0 110.402 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -52.38 -42.96 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.404 0.682 . . . . 0.0 111.487 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -66.95 -52.66 40.21 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -84.03 60.5 5.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.317 1.047 . . . . 0.0 110.449 -175.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 mtt -141.37 89.09 9.58 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.832 1.653 . . . . 0.0 107.901 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -50.63 -27.68 20.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 125.261 3.974 . . . . 0.0 116.078 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -88.74 -14.3 37.52 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.568 0.622 . . . . 0.0 111.605 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.71 -36.25 50.46 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.8 p -53.07 -30.75 37.87 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.183 1.393 . . . . 0.0 112.881 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -89.3 38.66 0.91 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.902 0.881 . . . . 0.0 111.32 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -63.02 -61.17 2.57 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.995 -0.441 . . . . 0.0 109.84 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.75 57.27 4.09 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.95 125.04 91.79 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.326 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.67 -49.11 17.73 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.82 3.013 . . . . 0.0 112.518 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.297 176.079 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.573 0.225 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 161.48 32.49 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.832 0.853 . . . . 0.0 110.749 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.13 -32.92 71.46 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.182 1.393 . . . . 0.0 112.047 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.18 83.06 0.53 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.338 1.055 . . . . 0.0 110.049 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.76 -30.39 65.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.57 1.148 . . . . 0.0 112.999 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -53.83 41.86 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.399 0.679 . . . . 0.0 110.197 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -63.38 -40.28 96.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.392 0.677 . . . . 0.0 110.72 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -58.07 -50.57 72.98 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.222 0.609 . . . . 0.0 110.585 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -59.62 -41.44 90.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.252 1.021 . . . . 0.0 110.733 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.58 75.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.528 . . . . 0.0 111.169 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.98 -47.96 83.69 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.312 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.31 -47.26 79.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.211 1.404 . . . . 0.0 110.98 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.04 -50.33 69.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.629 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.95 -42.33 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 119.095 -0.479 . . . . 0.0 111.686 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.22 -46.48 85.79 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.657 0.662 . . . . 0.0 110.69 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -81.33 64.56 6.11 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.031 0.932 . . . . 0.0 110.407 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 mtt -139.17 90.92 11.56 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 125.442 1.497 . . . . 0.0 107.926 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 -32.93 19.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 125.247 3.965 . . . . 0.0 116.227 -173.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -89.05 -12.22 41.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 -171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -63.79 -30.54 68.72 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.4 p -55.86 -37.79 69.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.152 0.981 . . . . 0.0 111.437 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -93.97 27.24 2.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.956 0.903 . . . . 0.0 111.489 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -56.85 -56.16 25.13 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.673 0.669 . . . . 0.0 110.887 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -89.5 9.89 24.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.99 91.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.974 0.807 . . . . 0.0 110.435 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.55 -45.81 37.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.624 2.883 . . . . 0.0 113.383 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.082 1.353 . . . . 0.0 110.356 -177.072 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.47 -51.29 66.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 109.82 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -79.5 68.36 5.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.098 0.959 . . . . 0.0 109.071 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -76.74 93.59 3.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.53 -41.5 76.88 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.824 1.249 . . . . 0.0 112.358 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.71 36.79 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.782 0.433 . . . . 0.0 110.891 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -64.21 -51.22 64.75 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.425 0.69 . . . . 0.0 111.843 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.63 -41.79 86.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.48 0.582 . . . . 0.0 111.271 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -63.59 -47.8 79.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.983 0.513 . . . . 0.0 110.143 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -47.55 77.54 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.127 0.571 . . . . 0.0 111.196 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -58.13 -45.68 86.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.624 0.369 . . . . 0.0 110.182 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -60.22 -38.6 83.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -51.12 68.73 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.633 0.651 . . . . 0.0 110.092 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.97 -36.34 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.164 0.586 . . . . 0.0 111.495 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.55 -44.9 95.61 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.683 0.674 . . . . 0.0 110.233 171.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.03 64.09 4.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.031 0.932 . . . . 0.0 110.076 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.3 mmt -133.91 105.71 11.58 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 125.866 1.666 . . . . 0.0 107.071 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.32 -31.28 14.44 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.969 2.446 . . . . 0.0 113.114 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -89.58 -24.74 21.63 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.98 0.512 . . . . 0.0 111.747 -171.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.04 -38.66 50.0 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -57.64 -30.18 65.17 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.468 1.507 . . . . 0.0 112.907 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -89.26 43.61 1.16 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.626 0.77 . . . . 0.0 110.178 -175.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p -66.75 -67.21 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.46 0.704 . . . . 0.0 109.802 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -89.08 7.25 35.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.77 126.08 91.76 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 119.322 0.965 . . . . 0.0 110.061 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -49.79 -45.24 32.86 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.758 2.972 . . . . 0.0 113.007 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.228 178.68 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -69.12 141.98 54.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.412 0.685 . . . . 0.0 109.476 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.32 -53.02 62.86 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -79.96 90.26 5.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 169.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -9.64 11.66 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.25 79.88 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.858 0.754 . . . . 0.0 109.744 169.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -67.25 -46.56 73.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.531 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -63.23 -40.04 96.33 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.698 1.136 . . . . 0.0 110.842 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -60.75 -47.69 85.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.275 0.63 . . . . 0.0 110.033 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.03 95.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.199 0.599 . . . . 0.0 111.297 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -57.91 -54.4 47.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 109.76 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.049 1.34 . . . . 0.0 111.741 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.69 -47.5 85.02 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.838 0.855 . . . . 0.0 110.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.46 -38.04 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 122.885 0.474 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.58 -40.25 96.29 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.808 0.731 . . . . 0.0 110.267 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -80.02 63.09 4.43 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.869 0.868 . . . . 0.0 110.193 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 mmt -131.34 81.8 64.26 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 125.352 1.461 . . . . 0.0 107.16 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.66 -13.87 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.596 2.864 . . . . 0.0 114.166 -169.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -88.82 -20.63 24.43 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.767 0.712 . . . . 0.0 110.842 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 -33.79 35.45 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 p -56.02 -40.22 73.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.272 1.029 . . . . 0.0 111.34 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -91.55 32.95 1.03 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.977 0.911 . . . . 0.0 111.56 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -57.86 -48.84 78.63 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.333 0.653 . . . . 0.0 110.934 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -88.99 52.37 2.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 125.98 89.15 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 123.197 0.599 . . . . 0.0 109.874 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 -37.02 6.95 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.0 2.467 . . . . 0.0 111.208 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.191 -1.385 . . . . 0.0 108.947 178.547 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -64.02 -39.12 93.38 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.012 0.525 . . . . 0.0 111.183 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 64.76 176.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.808 1.643 . . . . 0.0 112.699 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.29 -172.74 4.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.637 1.175 . . . . 0.0 110.512 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.32 -45.76 62.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.558 1.543 . . . . 0.0 113.336 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.42 82.5 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.244 0.618 . . . . 0.0 110.746 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -59.49 -57.73 11.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.129 0.972 . . . . 0.0 110.096 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.95 -37.02 85.41 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.42 -50.87 71.87 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.26 95.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.209 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -56.99 -52.45 65.22 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.996 0.518 . . . . 0.0 110.285 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -52.65 -51.55 59.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.591 1.157 . . . . 0.0 110.688 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -57.42 -51.29 70.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.318 0.647 . . . . 0.0 111.835 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.21 -40.59 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.45 0.7 . . . . 0.0 111.245 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.5 mt -68.35 -36.69 79.61 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.996 0.518 . . . . 0.0 111.567 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.64 -47.33 78.9 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.578 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.6 mtt -44.42 104.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.85 1.66 . . . . 0.0 111.045 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.94 -23.19 9.53 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.657 2.238 . . . . 0.0 113.877 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -89.05 -1.71 58.23 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.864 0.756 . . . . 0.0 112.135 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.13 -37.85 23.94 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -55.59 -24.06 30.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.089 0.956 . . . . 0.0 113.318 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -89.16 37.8 0.87 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.57 0.748 . . . . 0.0 111.111 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -63.1 -61.13 2.58 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.213 0.605 . . . . 0.0 110.11 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.25 -25.74 21.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.4 159.51 85.19 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.22 1.408 . . . . 0.0 110.673 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.55 -35.92 56.78 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.906 2.404 . . . . 0.0 111.586 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 pttt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.521 175.598 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -79.22 66.53 4.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.681 0.792 . . . . 0.0 110.292 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 p80 45.24 39.48 4.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.491 1.916 . . . . 0.0 113.008 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.99 108.06 12.19 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.32 -48.12 81.24 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.8 38.88 0.72 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.463 1.105 . . . . 0.0 112.013 -173.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.73 -53.36 7.62 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.011 0.525 . . . . 0.0 109.898 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -55.89 -40.68 73.33 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.939 0.895 . . . . 0.0 110.863 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.04 -50.0 75.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.103 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.59 69.95 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.393 0.542 . . . . 0.0 111.575 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.29 -52.26 66.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.672 0.389 . . . . 0.0 110.811 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -53.11 -48.86 67.5 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.787 1.235 . . . . 0.0 111.833 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.15 -51.94 67.29 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.831 0.452 . . . . 0.0 110.294 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.23 -39.3 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 111.477 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.53 -42.92 99.54 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.511 0.596 . . . . 0.0 111.137 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.01 -26.46 59.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.018 0.927 . . . . 0.0 113.147 -175.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.8 mtt -52.04 113.66 4.48 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 123.9 0.88 . . . . 0.0 110.035 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.15 -28.24 7.52 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.428 2.752 . . . . 0.0 114.008 -168.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -89.08 -18.76 26.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.484 0.584 . . . . 0.0 111.845 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.66 -31.1 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 p -57.71 -21.28 39.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.15 1.38 . . . . 0.0 112.933 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -118.57 33.01 5.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.754 1.222 . . . . 0.0 110.714 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m -59.42 -53.85 53.39 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.335 0.516 . . . . 0.0 110.525 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -88.61 52.81 2.52 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 124.88 91.5 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.616 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.45 -44.07 41.35 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.855 3.037 . . . . 0.0 113.017 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.821 178.326 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -79.96 74.8 6.7 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.976 0.911 . . . . 0.0 108.99 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -80.39 71.04 7.18 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.352 1.061 . . . . 0.0 110.423 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 61.56 71.35 0.55 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.543 1.537 . . . . 0.0 110.699 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -50.26 -39.9 46.38 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.974 1.31 . . . . 0.0 111.669 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.93 97.3 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.899 0.479 . . . . 0.0 111.847 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.07 -45.38 93.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.461 0.304 . . . . 0.0 110.438 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.3 -52.23 66.2 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.275 -0.393 . . . . 0.0 110.2 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -60.76 -36.0 77.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 123.134 0.271 . . . . 0.0 111.674 -175.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -59.48 4.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.268 0.627 . . . . 0.0 110.337 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -53.4 -49.16 67.85 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 122.77 0.428 . . . . 0.0 111.133 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.3 -48.37 80.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.331 1.053 . . . . 0.0 111.387 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.34 -45.84 86.06 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.963 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.94 -42.95 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.144 0.578 . . . . 0.0 110.972 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.9 -56.56 16.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.686 0.395 . . . . 0.0 110.265 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -82.69 67.97 8.96 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.252 1.021 . . . . 0.0 110.44 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mtt -132.52 131.23 22.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.252 1.421 . . . . 0.0 108.068 172.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.46 -40.84 1.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.346 2.697 . . . . 0.0 113.1 -169.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -89.34 -26.86 20.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 122.866 0.466 . . . . 0.0 111.322 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.21 -27.29 35.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.2 p -64.8 -45.07 87.84 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.686 0.394 . . . . 0.0 111.758 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -89.77 53.95 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.088 0.555 . . . . 0.0 111.473 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m -58.19 -45.73 87.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.909 0.884 . . . . 0.0 110.645 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -88.71 56.13 3.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.27 124.76 91.39 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.451 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.24 -47.19 27.05 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.75 2.966 . . . . 0.0 112.52 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.26 -1.352 . . . . 0.0 109.5 177.816 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -53.38 -42.18 66.67 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.867 1.267 . . . . 0.0 112.559 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -63.96 -35.04 79.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.982 0.513 . . . . 0.0 112.005 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -80.87 80.76 7.29 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -48.94 -41.86 35.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.749 1.62 . . . . 0.0 112.793 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.29 76.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.375 0.67 . . . . 0.0 111.475 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.9 tp60 -67.28 -52.25 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.565 0.746 . . . . 0.0 111.017 -174.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -40.58 84.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.468 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.7 -49.45 77.69 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.393 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.33 -43.84 71.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.342 0.657 . . . . 0.0 111.653 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -57.71 -47.58 81.98 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 117.844 0.293 . . . . 0.0 110.657 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -59.62 -41.68 90.96 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.571 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -53.66 -52.26 60.53 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.661 0.664 . . . . 0.0 109.985 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.73 -38.55 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 0.0 111.462 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.8 -46.42 88.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.664 0.666 . . . . 0.0 111.304 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.7 -41.92 95.66 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.214 1.006 . . . . 0.0 112.617 -173.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.3 mtt -38.48 100.62 0.21 Allowed Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.16 1.784 . . . . 0.0 111.89 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.41 -35.11 83.71 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.654 3.569 . . . . 0.0 116.454 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -88.85 -12.73 41.04 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.18 -30.18 74.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.9 p -53.9 -39.94 66.2 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.07 0.948 . . . . 0.0 111.607 171.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -89.92 40.88 1.02 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.079 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -63.92 -57.24 10.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.036 0.534 . . . . 0.0 110.568 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -89.38 10.11 23.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 128.27 90.89 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 119.097 0.862 . . . . 0.0 109.722 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.09 -161.04 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.631 2.888 . . . . 0.0 109.322 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.174 -1.393 . . . . 0.0 109.899 178.764 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 54.38 38.86 30.33 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.243 1.417 . . . . 0.0 111.72 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t60 45.7 46.27 11.46 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.065 1.746 . . . . 0.0 112.991 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.3 -177.27 2.5 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 169.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.5 -38.27 77.31 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.06 -49.19 62.87 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.073 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.98 -44.85 95.88 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.007 0.923 . . . . 0.0 110.793 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.96 -52.54 62.73 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.723 1.209 . . . . 0.0 109.779 174.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -59.19 -40.34 85.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.559 0.744 . . . . 0.0 111.198 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.26 -56.89 16.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.161 0.437 . . . . 0.0 110.57 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.09 -47.52 71.67 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.887 0.475 . . . . 0.0 111.168 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.99 -48.11 79.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.726 1.211 . . . . 0.0 111.231 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -61.77 -48.61 79.88 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.944 0.498 . . . . 0.0 110.596 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.2 -41.94 63.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.053 0.541 . . . . 0.0 111.205 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -62.16 -53.8 50.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.004 0.522 . . . . 0.0 110.627 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -82.85 67.42 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.142 0.977 . . . . 0.0 110.75 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtt -138.39 94.49 10.75 Favored Pre-proline 0 CA--C 1.534 0.334 0 C-N-CA 125.395 1.478 . . . . 0.0 108.927 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.62 -33.13 30.27 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.098 3.865 . . . . 0.0 115.571 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -88.88 -10.26 48.59 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.676 -172.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.66 -33.2 30.82 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -58.33 -23.36 56.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.07 38.91 0.91 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.892 0.877 . . . . 0.0 110.794 -175.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m -63.79 -59.39 4.61 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.446 0.698 . . . . 0.0 110.102 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -97.36 30.46 2.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 124.88 84.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.351 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.99 -48.04 19.54 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.771 2.981 . . . . 0.0 112.644 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.082 174.191 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.59 0.218 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 51.49 75.54 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.662 1.585 . . . . 0.0 111.492 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.02 136.56 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 109.599 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -86.4 76.54 9.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.921 0.889 . . . . 0.0 109.772 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -53.66 -35.28 60.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.281 1.032 . . . . 0.0 112.147 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.66 -36.9 16.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.117 1.367 . . . . 0.0 112.716 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -64.73 -55.4 20.14 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 111.479 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -69.57 -33.54 72.88 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.526 -0.273 . . . . 0.0 111.292 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.41 -37.98 82.58 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.126 0.57 . . . . 0.0 111.051 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.11 78.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.067 0.547 . . . . 0.0 110.761 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.7 -47.62 83.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.438 0.295 . . . . 0.0 110.32 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.05 -43.42 86.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.445 1.098 . . . . 0.0 111.759 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.44 -47.23 79.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.959 0.504 . . . . 0.0 111.195 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.44 -38.99 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 119.249 -0.405 . . . . 0.0 111.038 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.23 -37.77 88.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.518 0.599 . . . . 0.0 111.67 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -64.34 -45.34 88.26 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.292 0.637 . . . . 0.0 111.603 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.6 mtt -48.45 106.11 0.57 Allowed Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.39 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -25.64 7.63 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.913 2.409 . . . . 0.0 114.373 -168.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -88.78 -1.81 58.27 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.888 0.767 . . . . 0.0 112.165 -170.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 -28.2 43.14 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 p -53.69 -41.24 66.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.32 1.048 . . . . 0.0 110.845 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -90.59 31.14 1.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.294 1.038 . . . . 0.0 111.778 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t -57.04 -53.39 58.61 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.697 0.681 . . . . 0.0 110.317 175.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.22 -20.57 24.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.62 165.2 38.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.632 0.773 . . . . 0.0 110.165 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.35 177.63 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.919 2.412 . . . . 0.0 110.939 172.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.268 1.427 . . . . 0.0 109.13 -177.064 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.06 163.33 34.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.113 0.965 . . . . 0.0 108.993 172.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -60.4 -53.75 53.87 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.158 0.983 . . . . 0.0 110.369 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.27 -174.27 4.56 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.157 0.983 . . . . 0.0 109.974 174.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.15 41.02 1.03 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.226 1.01 . . . . 0.0 110.454 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.54 72.31 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.416 1.086 . . . . 0.0 111.196 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.76 -47.76 83.54 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.977 0.511 . . . . 0.0 109.755 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -90.55 32.61 0.95 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.511 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -39.78 -51.7 2.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.899 1.68 . . . . 0.0 114.719 -172.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.26 59.79 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.446 0.566 . . . . 0.0 111.305 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -59.18 -49.3 78.39 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.055 0.942 . . . . 0.0 110.582 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.41 -43.27 71.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.677 1.591 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -62.01 -38.85 90.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.995 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.89 -37.3 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.684 0.675 . . . . 0.0 110.909 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.71 -38.71 83.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.727 0.694 . . . . 0.0 111.046 172.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -79.69 46.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.218 1.007 . . . . 0.0 112.021 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 mtm -143.92 85.63 8.98 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 124.735 1.214 . . . . 0.0 107.883 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.68 4.12 5.37 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.046 3.164 . . . . 0.0 114.079 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -88.69 -24.58 22.69 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 118.777 0.717 . . . . 0.0 109.635 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -56.71 -38.17 96.23 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -60.4 -35.27 75.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.023 0.529 . . . . 0.0 111.793 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -89.9 28.24 1.4 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.532 0.733 . . . . 0.0 111.783 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p -55.65 -48.11 75.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.566 0.621 . . . . 0.0 110.551 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.81 56.13 3.63 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.32 121.91 79.02 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.778 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -50.04 -50.38 13.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.901 3.067 . . . . 0.0 112.605 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.178 -1.392 . . . . 0.0 108.238 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.78 88.85 1.78 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.89 0.876 . . . . 0.0 109.497 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -158.27 147.24 19.16 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.861 1.264 . . . . 0.0 108.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.3 t70 54.78 52.8 11.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.063 0.945 . . . . 0.0 109.851 -174.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.13 -23.86 24.71 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.721 1.208 . . . . 0.0 111.946 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.03 36.15 0.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.489 1.116 . . . . 0.0 113.084 -171.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.76 -43.14 63.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.55 -55.41 29.5 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.168 0.987 . . . . 0.0 109.829 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -53.24 -50.34 64.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.769 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -61.15 2.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.969 0.507 . . . . 0.0 111.286 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.59 -51.72 58.55 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.075 0.55 . . . . 0.0 111.48 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -57.76 -54.75 43.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.249 1.42 . . . . 0.0 110.7 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.94 -43.0 99.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.968 0.507 . . . . 0.0 111.292 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.98 -43.0 80.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.68 0.792 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.26 -27.13 65.16 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.912 0.485 . . . . 0.0 112.041 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -82.22 -71.04 0.5 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.635 0.652 . . . . 0.0 111.249 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.1 mtm -26.05 93.31 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 128.929 2.892 . . . . 0.0 114.235 -171.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -47.96 -34.32 22.4 Favored 'Trans proline' 0 C--N 1.349 0.56 1 C-N-CA 125.808 4.338 . . . . 0.0 117.203 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.57 -4.85 58.49 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.46 -35.17 50.69 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -53.04 -27.35 19.27 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.44 1.096 . . . . 0.0 112.717 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -89.44 9.12 27.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.961 0.905 . . . . 0.0 112.256 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -48.78 -45.44 39.99 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 124.478 1.111 . . . . 0.0 112.368 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -88.7 -22.86 23.16 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 163.03 61.75 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.323 1.049 . . . . 0.0 109.633 171.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -49.36 -34.87 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.727 2.951 . . . . 0.0 113.661 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 pttm . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.628 -1.177 . . . . 0.0 110.155 177.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 55.04 52.13 12.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.943 1.297 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -160.12 145.18 14.94 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.305 1.042 . . . . 0.0 109.332 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -156.13 109.45 2.69 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.42 -38.59 71.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.858 0.863 . . . . 0.0 112.731 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.11 -52.98 60.44 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.285 0.493 . . . . 0.0 111.219 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -64.02 -43.89 94.24 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.706 0.803 . . . . 0.0 110.81 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -53.69 -52.03 61.34 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.634 1.174 . . . . 0.0 109.919 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.09 -43.61 95.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 110.981 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.03 63.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.978 0.354 . . . . 0.0 111.151 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -58.73 -46.96 86.2 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.015 0.37 . . . . 0.0 111.043 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -54.49 -49.21 70.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.74 1.216 . . . . 0.0 111.049 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -52.75 -54.36 35.03 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.265 0.626 . . . . 0.0 110.277 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.63 -40.5 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.034 0.534 . . . . 0.0 111.515 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.173 0.442 . . . . 0.0 111.195 174.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.56 -40.23 80.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.702 -174.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mtt -40.14 101.92 0.25 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 126.485 1.914 . . . . 0.0 112.381 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.5 -33.73 96.9 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 124.054 3.17 . . . . 0.0 115.307 -171.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -89.1 -10.17 48.35 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -169.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.55 -25.95 62.26 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.9 p -54.47 -40.52 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.066 0.946 . . . . 0.0 111.05 169.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -90.33 37.53 0.9 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.557 1.143 . . . . 0.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -62.87 -60.35 3.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.361 0.528 . . . . 0.0 110.348 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -89.5 8.65 29.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 127.44 93.16 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 119.083 0.856 . . . . 0.0 109.771 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.52 99.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 124.622 3.548 . . . . 0.0 112.131 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.006 1.722 . . . . 0.0 109.956 -177.872 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 66.4 -72.15 0.08 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 126.94 2.096 . . . . 0.0 111.818 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -128.99 -21.84 3.26 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.868 1.667 . . . . 0.0 111.205 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -83.36 46.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.618 1.167 . . . . 0.0 111.674 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.89 -44.8 14.98 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.986 0.914 . . . . 0.0 109.37 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.91 86.38 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.861 0.464 . . . . 0.0 110.609 170.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.44 -45.76 30.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.215 0.606 . . . . 0.0 111.881 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.61 -39.6 84.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.734 0.697 . . . . 0.0 110.037 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -60.8 -46.84 88.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.221 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.21 -47.4 75.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.562 0.619 . . . . 0.0 111.442 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -58.46 -48.08 81.91 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.523 0.329 . . . . 0.0 110.68 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.18 -40.82 82.48 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.349 1.06 . . . . 0.0 112.154 -178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -59.56 -46.17 89.68 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.651 0.66 . . . . 0.0 110.305 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.27 -38.26 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.223 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.75 -45.23 95.09 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.757 0.708 . . . . 0.0 110.337 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -84.37 54.94 3.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.394 1.078 . . . . 0.0 110.803 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.5 mtt -136.85 88.23 18.78 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 170.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -71.27 -6.42 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.71 2.94 . . . . 0.0 114.744 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -89.05 -17.78 28.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.968 0.804 . . . . 0.0 110.377 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.57 -31.86 19.63 Favored 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -57.88 -24.48 57.82 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -88.96 38.07 0.87 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.257 0.623 . . . . 0.0 111.211 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -63.31 -61.2 2.51 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 122.737 0.415 . . . . 0.0 109.917 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.55 -63.66 1.26 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 40.83 67.5 2.87 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.945 1.298 . . . . 0.0 113.568 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -82.05 -162.1 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.877 3.051 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.157 -1.402 . . . . 0.0 109.603 178.202 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -159.35 178.16 10.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.592 1.157 . . . . 0.0 109.397 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -149.57 164.97 33.63 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.315 1.046 . . . . 0.0 108.924 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 65.48 48.46 2.04 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.463 1.505 . . . . 0.0 111.478 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.01 3.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.734 1.214 . . . . 0.0 111.479 173.417 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.46 92.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.804 0.842 . . . . 0.0 111.877 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.76 -57.13 9.78 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.738 0.815 . . . . 0.0 111.113 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -59.01 -40.14 84.04 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.944 0.498 . . . . 0.0 111.128 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.81 -45.62 93.07 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.235 0.614 . . . . 0.0 110.466 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.98 71.96 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.258 0.481 . . . . 0.0 111.337 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -53.96 -51.66 63.15 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.63 0.372 . . . . 0.0 110.729 175.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.54 -48.72 76.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.947 . . . . 0.0 111.805 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -56.65 -50.98 70.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.227 1.011 . . . . 0.0 110.719 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.0 -44.13 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.244 0.618 . . . . 0.0 111.002 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.78 -47.46 80.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.417 0.553 . . . . 0.0 111.323 175.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.53 -34.22 75.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 42.5 mtt -47.43 111.8 1.8 Allowed Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.484 1.114 . . . . 0.0 111.353 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.35 -20.67 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.691 2.927 . . . . 0.0 113.551 -169.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -88.41 -25.5 22.63 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.696 0.68 . . . . 0.0 109.873 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.99 -31.63 76.69 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 p -57.08 -37.6 72.12 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.714 1.206 . . . . 0.0 111.844 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -89.53 42.44 1.09 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.749 0.82 . . . . 0.0 110.99 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -63.71 -53.65 47.83 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.295 0.638 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -89.64 8.2 32.64 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 126.76 92.29 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.221 0.919 . . . . 0.0 110.233 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.06 99.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 124.248 3.298 . . . . 0.0 111.68 172.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.18 1.792 . . . . 0.0 110.349 -177.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.644 0.259 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 56.0 50.73 13.24 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.962 1.305 . . . . 0.0 111.025 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.39 117.94 13.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.373 0.669 . . . . 0.0 110.043 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.86 91.01 1.94 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 169.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.83 -39.21 73.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.846 0.859 . . . . 0.0 110.874 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.94 8.38 3.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.225 1.01 . . . . 0.0 113.188 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -60.04 -43.38 95.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.139 0.881 . . . . 0.0 110.064 173.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -58.27 -41.63 84.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.417 0.687 . . . . 0.0 110.741 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.485 0.714 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.58 86.64 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.086 0.554 . . . . 0.0 111.161 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.28 -48.88 79.96 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.749 0.249 . . . . 0.0 110.566 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -57.98 -43.19 86.4 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.099 0.56 . . . . 0.0 111.299 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.58 -48.86 76.46 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.313 0.645 . . . . 0.0 110.585 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -38.96 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.118 -0.468 . . . . 0.0 111.466 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.67 -43.3 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.816 0.735 . . . . 0.0 110.533 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.64 62.06 4.56 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.447 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.1 mmt -132.27 87.62 42.58 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 125.633 1.573 . . . . 0.0 107.285 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -50.09 -31.24 27.5 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.754 3.636 . . . . 0.0 115.154 -174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -89.44 -12.12 41.12 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.111 0.564 . . . . 0.0 111.808 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.59 -41.59 72.52 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -53.91 -36.84 63.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.863 1.265 . . . . 0.0 112.255 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -89.67 42.44 1.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.89 0.876 . . . . 0.0 110.99 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p -63.32 -57.13 11.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 110.275 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -88.71 -39.73 13.77 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 70.97 169.91 0.12 Allowed Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.585 1.154 . . . . 0.0 110.796 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.73 98.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.315 3.343 . . . . 0.0 113.027 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 C-N-CA 126.178 1.791 . . . . 0.0 111.61 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 119.487 -0.292 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.146 0.022 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.039 -0.029 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.391 0.138 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo . . . . . 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 40.1 mm-40 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -78.9 71.5 5.37 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.996 0.918 . . . . 0.0 110.558 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -161.14 -161.27 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.822 1.649 . . . . 0.0 107.945 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.13 56.73 1.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.345 1.058 . . . . 0.0 110.445 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.8 -23.14 67.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.628 0.771 . . . . 0.0 112.886 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.2 -32.29 55.29 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.37 1.068 . . . . 0.0 112.135 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.75 -56.4 6.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.788 0.435 . . . . 0.0 110.109 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 36.98 0.88 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.955 0.902 . . . . 0.0 111.746 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -59.82 -42.38 93.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.927 0.891 . . . . 0.0 112.611 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.37 70.16 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.378 0.535 . . . . 0.0 110.524 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -56.1 -48.79 75.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.086 0.954 . . . . 0.0 110.431 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -58.11 -45.08 87.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 111.636 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.36 -47.16 87.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.363 0.665 . . . . 0.0 110.37 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.95 -41.98 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 118.38 0.537 . . . . 0.0 111.059 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.76 -51.55 69.27 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.534 0.606 . . . . 0.0 110.554 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -83.72 64.82 8.21 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.434 1.093 . . . . 0.0 110.485 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.7 mtt -132.69 120.1 16.44 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 125.646 1.578 . . . . 0.0 106.999 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.37 -33.57 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.338 2.692 . . . . 0.0 113.478 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -89.26 -17.68 28.52 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.91 -40.04 76.71 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -59.56 -30.46 68.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.101 0.561 . . . . 0.0 112.4 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -89.61 39.95 0.97 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -65.44 -57.33 8.57 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.01 0.524 . . . . 0.0 110.27 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -89.81 11.05 21.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.65 126.44 92.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 119.126 0.876 . . . . 0.0 109.737 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.68 -49.92 15.58 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.471 2.781 . . . . 0.0 113.122 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.49 -175.25 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.38 -48.67 48.51 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.533 0.733 . . . . 0.0 110.741 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -134.49 77.45 1.69 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.297 1.039 . . . . 0.0 109.347 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.81 66.84 7.55 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.583 0.753 . . . . 0.0 109.291 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.65 -28.79 69.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.566 0.746 . . . . 0.0 111.718 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -46.5 86.49 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.257 0.623 . . . . 0.0 110.772 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -67.46 -44.4 78.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.404 0.682 . . . . 0.0 110.326 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -51.85 -52.57 48.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.453 1.101 . . . . 0.0 109.72 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -58.02 -44.81 87.5 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.988 . . . . 0.0 111.143 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -54.09 50.64 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.289 0.495 . . . . 0.0 111.194 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -60.56 -50.41 73.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.538 0.335 . . . . 0.0 111.435 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.8 -53.93 34.55 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.506 1.122 . . . . 0.0 111.423 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -54.76 -54.33 43.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.423 0.689 . . . . 0.0 110.442 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.7 -41.78 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 122.866 0.466 . . . . 0.0 111.518 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.12 -41.82 97.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.886 0.474 . . . . 0.0 111.464 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -79.43 -29.01 41.69 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.007 0.923 . . . . 0.0 113.415 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.6 mtt -46.71 110.45 1.26 Allowed Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 125.268 1.427 . . . . 0.0 111.222 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -77.84 -25.47 7.64 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.282 2.655 . . . . 0.0 113.614 -169.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.75 -15.04 35.71 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.533 0.606 . . . . 0.0 111.519 -170.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -82.58 58.2 6.39 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.4 p -142.67 -54.28 0.41 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.17 0.988 . . . . 0.0 109.74 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -89.14 51.98 2.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -62.75 -42.76 99.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.768 1.227 . . . . 0.0 110.272 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.29 9.37 26.22 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 139.46 93.97 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.05 0.841 . . . . 0.0 110.292 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.43 -44.24 4.89 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.997 2.465 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.224 -1.37 . . . . 0.0 109.264 175.446 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 179.87 3.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.863 0.865 . . . . 0.0 111.076 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -53.67 -66.1 0.45 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.102 0.961 . . . . 0.0 110.396 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -164.27 113.31 1.17 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.217 1.007 . . . . 0.0 108.334 171.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.85 -32.95 65.8 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.334 0.653 . . . . 0.0 111.835 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.44 38.0 0.76 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.809 0.844 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.36 -69.82 0.28 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -50.32 -40.47 48.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.16 1.384 . . . . 0.0 112.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.38 -52.37 64.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 110.502 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.1 83.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.985 0.514 . . . . 0.0 111.462 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -53.18 -54.1 40.81 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.258 0.623 . . . . 0.0 110.685 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -57.61 -46.28 84.28 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.231 0.612 . . . . 0.0 111.346 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.35 -47.81 82.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.234 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.88 -45.52 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.219 0.608 . . . . 0.0 110.97 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.71 -43.74 90.18 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.183 0.447 . . . . 0.0 110.792 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.29 68.46 8.72 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.855 0.862 . . . . 0.0 110.41 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.5 mtt -133.67 82.27 51.26 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 124.082 0.953 . . . . 0.0 109.899 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -23.22 33.33 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 125.125 3.883 . . . . 0.0 115.562 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -88.12 -29.47 20.56 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.672 0.669 . . . . 0.0 109.911 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.01 -33.51 41.41 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 p -57.36 -41.91 81.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.144 0.978 . . . . 0.0 111.24 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -89.64 42.62 1.1 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.906 0.883 . . . . 0.0 110.927 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -61.32 -53.01 62.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.91 0.884 . . . . 0.0 110.335 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -89.3 48.35 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 144.29 90.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.244 0.617 . . . . 0.0 109.987 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.71 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 59.3 Cg_endo -67.68 -40.75 9.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.146 2.564 . . . . 0.0 111.319 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.71 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 66.6 tttm . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.519 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -61.9 110.87 1.68 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.702 0.801 . . . . 0.0 109.647 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.6 t60 55.05 61.33 2.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.029 1.332 . . . . 0.0 110.881 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.24 27.55 1.04 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.517 0.727 . . . . 0.0 111.337 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.16 -26.94 68.39 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.187 0.595 . . . . 0.0 111.632 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.99 -37.91 75.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.926 0.89 . . . . 0.0 111.462 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -75.93 -43.51 44.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.393 0.677 . . . . 0.0 109.64 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.43 -18.58 51.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.827 0.851 . . . . 0.0 112.101 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -50.51 -37.34 38.4 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.434 1.094 . . . . 0.0 112.739 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.28 86.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.624 0.37 . . . . 0.0 110.808 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -63.39 -44.21 95.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.834 0.854 . . . . 0.0 110.254 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -54.36 -51.26 65.35 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 109.922 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.68 -51.81 67.34 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.918 0.487 . . . . 0.0 111.223 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -55.12 -40.56 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 122.876 0.47 . . . . 0.0 111.563 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.03 -43.34 83.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.844 0.458 . . . . 0.0 111.291 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -64.71 -37.74 88.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.894 0.878 . . . . 0.0 112.299 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.1 mtt -46.39 109.53 1.03 Allowed Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 125.304 1.442 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.54 -21.59 8.61 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.423 2.748 . . . . 0.0 113.702 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -88.56 -21.52 24.04 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.611 0.641 . . . . 0.0 110.634 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.4 -36.0 93.04 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.2 p -52.21 -43.81 64.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.702 1.201 . . . . 0.0 111.24 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -93.97 28.82 2.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.249 1.019 . . . . 0.0 111.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -57.64 -54.38 47.48 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.596 0.635 . . . . 0.0 110.977 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -89.41 9.97 24.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.09 140.07 88.08 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 119.063 0.847 . . . . 0.0 110.141 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.27 -44.12 5.27 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.988 2.459 . . . . 0.0 110.718 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.177 -1.392 . . . . 0.0 109.427 175.812 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -76.37 85.43 3.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.844 0.858 . . . . 0.0 109.186 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -82.5 -152.51 0.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.751 1.221 . . . . 0.0 108.873 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -78.24 74.34 4.79 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -36.38 78.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.699 0.8 . . . . 0.0 111.474 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.33 64.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.257 0.48 . . . . 0.0 110.954 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.72 -45.95 87.61 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.503 0.721 . . . . 0.0 111.068 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.89 -57.61 10.91 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.895 0.878 . . . . 0.0 110.216 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.63 -36.52 76.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.028 0.931 . . . . 0.0 111.512 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.34 -54.67 33.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.665 0.666 . . . . 0.0 111.271 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -58.38 -48.44 80.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.228 0.467 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.11 -47.82 74.48 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.387 1.075 . . . . 0.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -55.4 -57.22 12.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.081 0.952 . . . . 0.0 110.402 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -52.38 -42.96 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.404 0.682 . . . . 0.0 111.487 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -66.95 -52.66 40.21 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -84.03 60.5 5.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.317 1.047 . . . . 0.0 110.449 -175.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 mtt -141.37 89.09 9.58 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.832 1.653 . . . . 0.0 107.901 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -50.63 -27.68 20.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 125.261 3.974 . . . . 0.0 116.078 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -88.74 -14.3 37.52 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.568 0.622 . . . . 0.0 111.605 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.71 -36.25 50.46 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.8 p -53.07 -30.75 37.87 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.183 1.393 . . . . 0.0 112.881 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -89.3 38.66 0.91 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.902 0.881 . . . . 0.0 111.32 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -63.02 -61.17 2.57 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.995 -0.441 . . . . 0.0 109.84 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.75 57.27 4.09 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.95 125.04 91.79 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.326 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.67 -49.11 17.73 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.82 3.013 . . . . 0.0 112.518 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.297 176.079 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.573 0.225 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 161.48 32.49 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.832 0.853 . . . . 0.0 110.749 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.13 -32.92 71.46 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.182 1.393 . . . . 0.0 112.047 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.18 83.06 0.53 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.338 1.055 . . . . 0.0 110.049 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.76 -30.39 65.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.57 1.148 . . . . 0.0 112.999 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -53.83 41.86 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.399 0.679 . . . . 0.0 110.197 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -63.38 -40.28 96.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.392 0.677 . . . . 0.0 110.72 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -58.07 -50.57 72.98 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.222 0.609 . . . . 0.0 110.585 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -59.62 -41.44 90.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.252 1.021 . . . . 0.0 110.733 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.58 75.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.528 . . . . 0.0 111.169 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.98 -47.96 83.69 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.312 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.31 -47.26 79.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.211 1.404 . . . . 0.0 110.98 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.04 -50.33 69.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.629 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.95 -42.33 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 119.095 -0.479 . . . . 0.0 111.686 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.22 -46.48 85.79 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.657 0.662 . . . . 0.0 110.69 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -81.33 64.56 6.11 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.031 0.932 . . . . 0.0 110.407 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 mtt -139.17 90.92 11.56 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 125.442 1.497 . . . . 0.0 107.926 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 -32.93 19.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 125.247 3.965 . . . . 0.0 116.227 -173.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -89.05 -12.22 41.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 -171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -63.79 -30.54 68.72 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.4 p -55.86 -37.79 69.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.152 0.981 . . . . 0.0 111.437 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -93.97 27.24 2.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.956 0.903 . . . . 0.0 111.489 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -56.85 -56.16 25.13 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.673 0.669 . . . . 0.0 110.887 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -89.5 9.89 24.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.99 91.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.974 0.807 . . . . 0.0 110.435 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.55 -45.81 37.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.624 2.883 . . . . 0.0 113.383 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.082 1.353 . . . . 0.0 110.356 -177.072 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.47 -51.29 66.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 109.82 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -79.5 68.36 5.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.098 0.959 . . . . 0.0 109.071 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -76.74 93.59 3.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.53 -41.5 76.88 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.824 1.249 . . . . 0.0 112.358 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.71 36.79 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.782 0.433 . . . . 0.0 110.891 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -64.21 -51.22 64.75 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.425 0.69 . . . . 0.0 111.843 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.63 -41.79 86.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.48 0.582 . . . . 0.0 111.271 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -63.59 -47.8 79.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.983 0.513 . . . . 0.0 110.143 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -47.55 77.54 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.127 0.571 . . . . 0.0 111.196 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -58.13 -45.68 86.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.624 0.369 . . . . 0.0 110.182 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -60.22 -38.6 83.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -51.12 68.73 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.633 0.651 . . . . 0.0 110.092 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.97 -36.34 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.164 0.586 . . . . 0.0 111.495 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.55 -44.9 95.61 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.683 0.674 . . . . 0.0 110.233 171.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.03 64.09 4.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.031 0.932 . . . . 0.0 110.076 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.3 mmt -133.91 105.71 11.58 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 125.866 1.666 . . . . 0.0 107.071 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.32 -31.28 14.44 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.969 2.446 . . . . 0.0 113.114 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -89.58 -24.74 21.63 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.98 0.512 . . . . 0.0 111.747 -171.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.04 -38.66 50.0 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -57.64 -30.18 65.17 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.468 1.507 . . . . 0.0 112.907 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -89.26 43.61 1.16 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.626 0.77 . . . . 0.0 110.178 -175.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p -66.75 -67.21 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.46 0.704 . . . . 0.0 109.802 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -89.08 7.25 35.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.77 126.08 91.76 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 119.322 0.965 . . . . 0.0 110.061 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -49.79 -45.24 32.86 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.758 2.972 . . . . 0.0 113.007 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.228 178.68 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -69.12 141.98 54.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.412 0.685 . . . . 0.0 109.476 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.32 -53.02 62.86 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -79.96 90.26 5.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 169.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -9.64 11.66 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.25 79.88 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.858 0.754 . . . . 0.0 109.744 169.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -67.25 -46.56 73.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.531 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -63.23 -40.04 96.33 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.698 1.136 . . . . 0.0 110.842 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -60.75 -47.69 85.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.275 0.63 . . . . 0.0 110.033 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -60.63 -45.03 95.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.199 0.599 . . . . 0.0 111.297 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -57.91 -54.4 47.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 109.76 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.049 1.34 . . . . 0.0 111.741 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.69 -47.5 85.02 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.838 0.855 . . . . 0.0 110.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.46 -38.04 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 122.885 0.474 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.58 -40.25 96.29 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.808 0.731 . . . . 0.0 110.267 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -80.02 63.09 4.43 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.869 0.868 . . . . 0.0 110.193 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 mmt -131.34 81.8 64.26 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 125.352 1.461 . . . . 0.0 107.16 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.66 -13.87 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.596 2.864 . . . . 0.0 114.166 -169.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -88.82 -20.63 24.43 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.767 0.712 . . . . 0.0 110.842 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 -33.79 35.45 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 p -56.02 -40.22 73.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.272 1.029 . . . . 0.0 111.34 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -91.55 32.95 1.03 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.977 0.911 . . . . 0.0 111.56 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -57.86 -48.84 78.63 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.333 0.653 . . . . 0.0 110.934 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -88.99 52.37 2.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 125.98 89.15 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 123.197 0.599 . . . . 0.0 109.874 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 -37.02 6.95 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.0 2.467 . . . . 0.0 111.208 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.191 -1.385 . . . . 0.0 108.947 178.547 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -64.02 -39.12 93.38 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.012 0.525 . . . . 0.0 111.183 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 64.76 176.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.808 1.643 . . . . 0.0 112.699 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.29 -172.74 4.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.637 1.175 . . . . 0.0 110.512 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.32 -45.76 62.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.558 1.543 . . . . 0.0 113.336 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.42 82.5 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.244 0.618 . . . . 0.0 110.746 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -59.49 -57.73 11.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.129 0.972 . . . . 0.0 110.096 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.95 -37.02 85.41 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.42 -50.87 71.87 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.26 95.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.209 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -56.99 -52.45 65.22 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.996 0.518 . . . . 0.0 110.285 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -52.65 -51.55 59.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.591 1.157 . . . . 0.0 110.688 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -57.42 -51.29 70.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.318 0.647 . . . . 0.0 111.835 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.21 -40.59 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.45 0.7 . . . . 0.0 111.245 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.5 mt -68.35 -36.69 79.61 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.996 0.518 . . . . 0.0 111.567 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.64 -47.33 78.9 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.578 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.6 mtt -44.42 104.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.85 1.66 . . . . 0.0 111.045 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.94 -23.19 9.53 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.657 2.238 . . . . 0.0 113.877 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -89.05 -1.71 58.23 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.864 0.756 . . . . 0.0 112.135 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.13 -37.85 23.94 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -55.59 -24.06 30.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.089 0.956 . . . . 0.0 113.318 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -89.16 37.8 0.87 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.57 0.748 . . . . 0.0 111.111 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -63.1 -61.13 2.58 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.213 0.605 . . . . 0.0 110.11 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.25 -25.74 21.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.4 159.51 85.19 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.22 1.408 . . . . 0.0 110.673 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.55 -35.92 56.78 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.906 2.404 . . . . 0.0 111.586 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 pttt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.521 175.598 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -79.22 66.53 4.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.681 0.792 . . . . 0.0 110.292 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 p80 45.24 39.48 4.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.491 1.916 . . . . 0.0 113.008 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.99 108.06 12.19 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.32 -48.12 81.24 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.8 38.88 0.72 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.463 1.105 . . . . 0.0 112.013 -173.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.73 -53.36 7.62 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.011 0.525 . . . . 0.0 109.898 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -55.89 -40.68 73.33 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.939 0.895 . . . . 0.0 110.863 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.04 -50.0 75.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.103 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.59 69.95 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.393 0.542 . . . . 0.0 111.575 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.29 -52.26 66.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.672 0.389 . . . . 0.0 110.811 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -53.11 -48.86 67.5 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.787 1.235 . . . . 0.0 111.833 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.15 -51.94 67.29 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.831 0.452 . . . . 0.0 110.294 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.23 -39.3 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 111.477 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.53 -42.92 99.54 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.511 0.596 . . . . 0.0 111.137 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.01 -26.46 59.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.018 0.927 . . . . 0.0 113.147 -175.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.8 mtt -52.04 113.66 4.48 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 123.9 0.88 . . . . 0.0 110.035 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.15 -28.24 7.52 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.428 2.752 . . . . 0.0 114.008 -168.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -89.08 -18.76 26.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.484 0.584 . . . . 0.0 111.845 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.66 -31.1 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 p -57.71 -21.28 39.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.15 1.38 . . . . 0.0 112.933 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -118.57 33.01 5.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.754 1.222 . . . . 0.0 110.714 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m -59.42 -53.85 53.39 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.335 0.516 . . . . 0.0 110.525 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -88.61 52.81 2.52 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 124.88 91.5 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.616 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.45 -44.07 41.35 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.855 3.037 . . . . 0.0 113.017 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.821 178.326 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -79.96 74.8 6.7 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.976 0.911 . . . . 0.0 108.99 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -80.39 71.04 7.18 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.352 1.061 . . . . 0.0 110.423 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 61.56 71.35 0.55 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.543 1.537 . . . . 0.0 110.699 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -50.26 -39.9 46.38 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.974 1.31 . . . . 0.0 111.669 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.93 97.3 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.899 0.479 . . . . 0.0 111.847 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.07 -45.38 93.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.461 0.304 . . . . 0.0 110.438 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.3 -52.23 66.2 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.275 -0.393 . . . . 0.0 110.2 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -60.76 -36.0 77.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 123.134 0.271 . . . . 0.0 111.674 -175.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -59.48 4.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.268 0.627 . . . . 0.0 110.337 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -53.4 -49.16 67.85 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 122.77 0.428 . . . . 0.0 111.133 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.3 -48.37 80.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.331 1.053 . . . . 0.0 111.387 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.34 -45.84 86.06 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.963 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.94 -42.95 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.144 0.578 . . . . 0.0 110.972 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.9 -56.56 16.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.686 0.395 . . . . 0.0 110.265 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -82.69 67.97 8.96 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.252 1.021 . . . . 0.0 110.44 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mtt -132.52 131.23 22.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.252 1.421 . . . . 0.0 108.068 172.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.46 -40.84 1.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.346 2.697 . . . . 0.0 113.1 -169.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -89.34 -26.86 20.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 122.866 0.466 . . . . 0.0 111.322 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.21 -27.29 35.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.2 p -64.8 -45.07 87.84 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.686 0.394 . . . . 0.0 111.758 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -89.77 53.95 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.088 0.555 . . . . 0.0 111.473 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m -58.19 -45.73 87.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.909 0.884 . . . . 0.0 110.645 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -88.71 56.13 3.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.27 124.76 91.39 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.451 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.24 -47.19 27.05 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.75 2.966 . . . . 0.0 112.52 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.26 -1.352 . . . . 0.0 109.5 177.816 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -53.38 -42.18 66.67 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.867 1.267 . . . . 0.0 112.559 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -63.96 -35.04 79.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.982 0.513 . . . . 0.0 112.005 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -80.87 80.76 7.29 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -48.94 -41.86 35.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.749 1.62 . . . . 0.0 112.793 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.29 76.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.375 0.67 . . . . 0.0 111.475 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.438 HE22 HD22 ' A' ' 32' ' ' LEU . 15.9 tp60 -67.28 -52.25 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.565 0.746 . . . . 0.0 111.017 -174.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -40.58 84.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.468 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.7 -49.45 77.69 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.393 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.33 -43.84 71.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.342 0.657 . . . . 0.0 111.653 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -57.71 -47.58 81.98 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 117.844 0.293 . . . . 0.0 110.657 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -59.62 -41.68 90.96 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.571 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -53.66 -52.26 60.53 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.661 0.664 . . . . 0.0 109.985 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.73 -38.55 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 0.0 111.462 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.8 -46.42 88.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.664 0.666 . . . . 0.0 111.304 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.7 -41.92 95.66 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.214 1.006 . . . . 0.0 112.617 -173.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.3 mtt -38.48 100.62 0.21 Allowed Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.16 1.784 . . . . 0.0 111.89 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.41 -35.11 83.71 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.654 3.569 . . . . 0.0 116.454 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -88.85 -12.73 41.04 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 HE22 ' A' ' 7' ' ' GLN . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.18 -30.18 74.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.9 p -53.9 -39.94 66.2 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.07 0.948 . . . . 0.0 111.607 171.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -89.92 40.88 1.02 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.079 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -63.92 -57.24 10.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.036 0.534 . . . . 0.0 110.568 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -89.38 10.11 23.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 128.27 90.89 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 119.097 0.862 . . . . 0.0 109.722 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.09 -161.04 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.631 2.888 . . . . 0.0 109.322 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.174 -1.393 . . . . 0.0 109.899 178.764 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 54.38 38.86 30.33 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.243 1.417 . . . . 0.0 111.72 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t60 45.7 46.27 11.46 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.065 1.746 . . . . 0.0 112.991 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.3 -177.27 2.5 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 169.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.5 -38.27 77.31 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.06 -49.19 62.87 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.073 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.98 -44.85 95.88 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.007 0.923 . . . . 0.0 110.793 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.96 -52.54 62.73 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.723 1.209 . . . . 0.0 109.779 174.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -59.19 -40.34 85.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.559 0.744 . . . . 0.0 111.198 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.26 -56.89 16.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.161 0.437 . . . . 0.0 110.57 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.09 -47.52 71.67 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.887 0.475 . . . . 0.0 111.168 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.99 -48.11 79.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.726 1.211 . . . . 0.0 111.231 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -61.77 -48.61 79.88 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.944 0.498 . . . . 0.0 110.596 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.2 -41.94 63.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.053 0.541 . . . . 0.0 111.205 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -62.16 -53.8 50.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.004 0.522 . . . . 0.0 110.627 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -82.85 67.42 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.142 0.977 . . . . 0.0 110.75 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtt -138.39 94.49 10.75 Favored Pre-proline 0 CA--C 1.534 0.334 0 C-N-CA 125.395 1.478 . . . . 0.0 108.927 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.62 -33.13 30.27 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.098 3.865 . . . . 0.0 115.571 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -88.88 -10.26 48.59 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.676 -172.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.66 -33.2 30.82 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -58.33 -23.36 56.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.07 38.91 0.91 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.892 0.877 . . . . 0.0 110.794 -175.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m -63.79 -59.39 4.61 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.446 0.698 . . . . 0.0 110.102 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -97.36 30.46 2.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 124.88 84.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.351 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.99 -48.04 19.54 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.771 2.981 . . . . 0.0 112.644 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.082 174.191 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.59 0.218 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 51.49 75.54 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.662 1.585 . . . . 0.0 111.492 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.02 136.56 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 109.599 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -86.4 76.54 9.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.921 0.889 . . . . 0.0 109.772 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -53.66 -35.28 60.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.281 1.032 . . . . 0.0 112.147 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.66 -36.9 16.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.117 1.367 . . . . 0.0 112.716 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -64.73 -55.4 20.14 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 111.479 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -69.57 -33.54 72.88 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.526 -0.273 . . . . 0.0 111.292 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.41 -37.98 82.58 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.126 0.57 . . . . 0.0 111.051 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.11 78.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.067 0.547 . . . . 0.0 110.761 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.7 -47.62 83.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.438 0.295 . . . . 0.0 110.32 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.05 -43.42 86.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.445 1.098 . . . . 0.0 111.759 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.44 -47.23 79.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.959 0.504 . . . . 0.0 111.195 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.44 -38.99 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 119.249 -0.405 . . . . 0.0 111.038 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.23 -37.77 88.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.518 0.599 . . . . 0.0 111.67 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -64.34 -45.34 88.26 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.292 0.637 . . . . 0.0 111.603 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.6 mtt -48.45 106.11 0.57 Allowed Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.39 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -25.64 7.63 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.913 2.409 . . . . 0.0 114.373 -168.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -88.78 -1.81 58.27 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.888 0.767 . . . . 0.0 112.165 -170.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 -28.2 43.14 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 p -53.69 -41.24 66.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.32 1.048 . . . . 0.0 110.845 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -90.59 31.14 1.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.294 1.038 . . . . 0.0 111.778 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t -57.04 -53.39 58.61 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.697 0.681 . . . . 0.0 110.317 175.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.22 -20.57 24.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.62 165.2 38.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.632 0.773 . . . . 0.0 110.165 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.35 177.63 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.919 2.412 . . . . 0.0 110.939 172.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.268 1.427 . . . . 0.0 109.13 -177.064 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.06 163.33 34.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.113 0.965 . . . . 0.0 108.993 172.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -60.4 -53.75 53.87 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.158 0.983 . . . . 0.0 110.369 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.27 -174.27 4.56 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.157 0.983 . . . . 0.0 109.974 174.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.15 41.02 1.03 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.226 1.01 . . . . 0.0 110.454 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.54 72.31 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.416 1.086 . . . . 0.0 111.196 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.76 -47.76 83.54 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.977 0.511 . . . . 0.0 109.755 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -90.55 32.61 0.95 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.511 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -39.78 -51.7 2.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.899 1.68 . . . . 0.0 114.719 -172.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.26 59.79 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.446 0.566 . . . . 0.0 111.305 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -59.18 -49.3 78.39 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.055 0.942 . . . . 0.0 110.582 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.41 -43.27 71.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.677 1.591 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -62.01 -38.85 90.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.995 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.89 -37.3 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.684 0.675 . . . . 0.0 110.909 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.71 -38.71 83.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.727 0.694 . . . . 0.0 111.046 172.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -79.69 46.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.218 1.007 . . . . 0.0 112.021 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 mtm -143.92 85.63 8.98 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 124.735 1.214 . . . . 0.0 107.883 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.68 4.12 5.37 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.046 3.164 . . . . 0.0 114.079 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -88.69 -24.58 22.69 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 118.777 0.717 . . . . 0.0 109.635 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -56.71 -38.17 96.23 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -60.4 -35.27 75.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.023 0.529 . . . . 0.0 111.793 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -89.9 28.24 1.4 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.532 0.733 . . . . 0.0 111.783 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p -55.65 -48.11 75.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.566 0.621 . . . . 0.0 110.551 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.81 56.13 3.63 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.32 121.91 79.02 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.778 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -50.04 -50.38 13.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.901 3.067 . . . . 0.0 112.605 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.178 -1.392 . . . . 0.0 108.238 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.78 88.85 1.78 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.89 0.876 . . . . 0.0 109.497 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -158.27 147.24 19.16 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.861 1.264 . . . . 0.0 108.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.3 t70 54.78 52.8 11.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.063 0.945 . . . . 0.0 109.851 -174.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.13 -23.86 24.71 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.721 1.208 . . . . 0.0 111.946 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.03 36.15 0.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.489 1.116 . . . . 0.0 113.084 -171.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.76 -43.14 63.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.55 -55.41 29.5 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.168 0.987 . . . . 0.0 109.829 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -53.24 -50.34 64.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.769 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -61.15 2.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.969 0.507 . . . . 0.0 111.286 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.59 -51.72 58.55 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.075 0.55 . . . . 0.0 111.48 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -57.76 -54.75 43.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.249 1.42 . . . . 0.0 110.7 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.94 -43.0 99.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.968 0.507 . . . . 0.0 111.292 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.98 -43.0 80.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.68 0.792 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.26 -27.13 65.16 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.912 0.485 . . . . 0.0 112.041 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -82.22 -71.04 0.5 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.635 0.652 . . . . 0.0 111.249 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.1 mtm -26.05 93.31 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 128.929 2.892 . . . . 0.0 114.235 -171.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -47.96 -34.32 22.4 Favored 'Trans proline' 0 C--N 1.349 0.56 1 C-N-CA 125.808 4.338 . . . . 0.0 117.203 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.57 -4.85 58.49 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.46 -35.17 50.69 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -53.04 -27.35 19.27 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.44 1.096 . . . . 0.0 112.717 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -89.44 9.12 27.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.961 0.905 . . . . 0.0 112.256 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -48.78 -45.44 39.99 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 124.478 1.111 . . . . 0.0 112.368 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -88.7 -22.86 23.16 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 163.03 61.75 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.323 1.049 . . . . 0.0 109.633 171.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -49.36 -34.87 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.727 2.951 . . . . 0.0 113.661 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 pttm . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.628 -1.177 . . . . 0.0 110.155 177.775 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 55.04 52.13 12.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.943 1.297 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -160.12 145.18 14.94 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.305 1.042 . . . . 0.0 109.332 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -156.13 109.45 2.69 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.42 -38.59 71.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.858 0.863 . . . . 0.0 112.731 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.11 -52.98 60.44 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.285 0.493 . . . . 0.0 111.219 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -64.02 -43.89 94.24 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.706 0.803 . . . . 0.0 110.81 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -53.69 -52.03 61.34 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.634 1.174 . . . . 0.0 109.919 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.09 -43.61 95.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 110.981 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.03 63.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.978 0.354 . . . . 0.0 111.151 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -58.73 -46.96 86.2 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.015 0.37 . . . . 0.0 111.043 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -54.49 -49.21 70.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.74 1.216 . . . . 0.0 111.049 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -52.75 -54.36 35.03 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.265 0.626 . . . . 0.0 110.277 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.63 -40.5 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.034 0.534 . . . . 0.0 111.515 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.173 0.442 . . . . 0.0 111.195 174.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.56 -40.23 80.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.702 -174.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mtt -40.14 101.92 0.25 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 126.485 1.914 . . . . 0.0 112.381 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.5 -33.73 96.9 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 124.054 3.17 . . . . 0.0 115.307 -171.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -89.1 -10.17 48.35 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -169.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.55 -25.95 62.26 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.9 p -54.47 -40.52 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.066 0.946 . . . . 0.0 111.05 169.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -90.33 37.53 0.9 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.557 1.143 . . . . 0.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -62.87 -60.35 3.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.361 0.528 . . . . 0.0 110.348 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -89.5 8.65 29.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 127.44 93.16 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 119.083 0.856 . . . . 0.0 109.771 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.52 99.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 124.622 3.548 . . . . 0.0 112.131 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.006 1.722 . . . . 0.0 109.956 -177.872 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 66.4 -72.15 0.08 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 126.94 2.096 . . . . 0.0 111.818 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -128.99 -21.84 3.26 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.868 1.667 . . . . 0.0 111.205 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -83.36 46.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.618 1.167 . . . . 0.0 111.674 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.89 -44.8 14.98 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.986 0.914 . . . . 0.0 109.37 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.91 86.38 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.861 0.464 . . . . 0.0 110.609 170.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.44 -45.76 30.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.215 0.606 . . . . 0.0 111.881 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.61 -39.6 84.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.734 0.697 . . . . 0.0 110.037 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -60.8 -46.84 88.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.221 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.21 -47.4 75.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.562 0.619 . . . . 0.0 111.442 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -58.46 -48.08 81.91 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.523 0.329 . . . . 0.0 110.68 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.18 -40.82 82.48 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.349 1.06 . . . . 0.0 112.154 -178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -59.56 -46.17 89.68 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.651 0.66 . . . . 0.0 110.305 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.27 -38.26 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.223 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.75 -45.23 95.09 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.757 0.708 . . . . 0.0 110.337 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -84.37 54.94 3.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.394 1.078 . . . . 0.0 110.803 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.5 mtt -136.85 88.23 18.78 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 170.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -71.27 -6.42 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.71 2.94 . . . . 0.0 114.744 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -89.05 -17.78 28.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.968 0.804 . . . . 0.0 110.377 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.57 -31.86 19.63 Favored 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -57.88 -24.48 57.82 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -88.96 38.07 0.87 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.257 0.623 . . . . 0.0 111.211 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -63.31 -61.2 2.51 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 122.737 0.415 . . . . 0.0 109.917 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.55 -63.66 1.26 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 40.83 67.5 2.87 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.945 1.298 . . . . 0.0 113.568 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -82.05 -162.1 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.877 3.051 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.157 -1.402 . . . . 0.0 109.603 178.202 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -159.35 178.16 10.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.592 1.157 . . . . 0.0 109.397 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -149.57 164.97 33.63 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.315 1.046 . . . . 0.0 108.924 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 65.48 48.46 2.04 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.463 1.505 . . . . 0.0 111.478 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.01 3.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.734 1.214 . . . . 0.0 111.479 173.417 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.46 92.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.804 0.842 . . . . 0.0 111.877 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.76 -57.13 9.78 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.738 0.815 . . . . 0.0 111.113 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -59.01 -40.14 84.04 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.944 0.498 . . . . 0.0 111.128 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.81 -45.62 93.07 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.235 0.614 . . . . 0.0 110.466 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.98 71.96 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.258 0.481 . . . . 0.0 111.337 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -53.96 -51.66 63.15 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.63 0.372 . . . . 0.0 110.729 175.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.54 -48.72 76.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.947 . . . . 0.0 111.805 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -56.65 -50.98 70.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.227 1.011 . . . . 0.0 110.719 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.0 -44.13 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.244 0.618 . . . . 0.0 111.002 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.78 -47.46 80.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.417 0.553 . . . . 0.0 111.323 175.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.53 -34.22 75.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 42.5 mtt -47.43 111.8 1.8 Allowed Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.484 1.114 . . . . 0.0 111.353 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.35 -20.67 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.691 2.927 . . . . 0.0 113.551 -169.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -88.41 -25.5 22.63 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.696 0.68 . . . . 0.0 109.873 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.99 -31.63 76.69 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 p -57.08 -37.6 72.12 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.714 1.206 . . . . 0.0 111.844 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -89.53 42.44 1.09 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.749 0.82 . . . . 0.0 110.99 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -63.71 -53.65 47.83 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.295 0.638 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -89.64 8.2 32.64 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 126.76 92.29 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.221 0.919 . . . . 0.0 110.233 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.06 99.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 124.248 3.298 . . . . 0.0 111.68 172.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.18 1.792 . . . . 0.0 110.349 -177.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.644 0.259 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 56.0 50.73 13.24 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.962 1.305 . . . . 0.0 111.025 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.39 117.94 13.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.373 0.669 . . . . 0.0 110.043 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.86 91.01 1.94 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 169.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.83 -39.21 73.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.846 0.859 . . . . 0.0 110.874 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.94 8.38 3.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.225 1.01 . . . . 0.0 113.188 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -60.04 -43.38 95.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.139 0.881 . . . . 0.0 110.064 173.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -58.27 -41.63 84.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.417 0.687 . . . . 0.0 110.741 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.485 0.714 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.58 86.64 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.086 0.554 . . . . 0.0 111.161 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.28 -48.88 79.96 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.749 0.249 . . . . 0.0 110.566 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -57.98 -43.19 86.4 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.099 0.56 . . . . 0.0 111.299 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.58 -48.86 76.46 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.313 0.645 . . . . 0.0 110.585 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -38.96 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.118 -0.468 . . . . 0.0 111.466 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.67 -43.3 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.816 0.735 . . . . 0.0 110.533 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.64 62.06 4.56 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.447 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.1 mmt -132.27 87.62 42.58 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 125.633 1.573 . . . . 0.0 107.285 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -50.09 -31.24 27.5 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.754 3.636 . . . . 0.0 115.154 -174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -89.44 -12.12 41.12 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.111 0.564 . . . . 0.0 111.808 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.59 -41.59 72.52 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -53.91 -36.84 63.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.863 1.265 . . . . 0.0 112.255 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -89.67 42.44 1.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.89 0.876 . . . . 0.0 110.99 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p -63.32 -57.13 11.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 110.275 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -88.71 -39.73 13.77 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 70.97 169.91 0.12 Allowed Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.585 1.154 . . . . 0.0 110.796 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.73 98.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.315 3.343 . . . . 0.0 113.027 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 C-N-CA 126.178 1.791 . . . . 0.0 111.61 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo . . . . . 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 CA--C 1.529 0.148 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 . . . . . 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 119.487 -0.292 . . . . 0.0 111.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m . . . . . 0 N--CA 1.454 -0.233 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 . . . . . 0 CA--C 1.528 0.116 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo . . . . . 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 . . . . . 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.658 -0.211 . . . . 0.0 110.634 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 CA--C 1.531 0.234 0 CA-C-O 120.146 0.022 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 . . . . . 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 . . . . . 0 CA--C 1.53 0.208 0 CA-C-O 119.184 -0.436 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 CA--C 1.53 0.203 0 N-CA-C 110.887 -0.042 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 . . . . . 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 119.158 -0.449 . . . . 0.0 111.747 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo . . . . . 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 . . . . . 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 119.573 -0.251 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p . . . . . 0 CA--C 1.53 0.183 0 CA-C-O 120.039 -0.029 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.135 0.42 . . . . 0.0 112.135 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo . . . . . 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 CA--C 1.529 0.138 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 . . . . . 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 119.283 -0.389 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 . . . . . 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 119.462 -0.304 . . . . 0.0 111.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo . . . . . 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m . . . . . 0 CA--C 1.531 0.225 0 CA-C-O 120.391 0.138 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 . . . . . 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.676 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo . . . . . 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 . . . . . 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 CA--C 1.53 0.202 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo . . . . . 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 . . . . . 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 . . . . . 0 CA--C 1.529 0.163 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo . . . . . 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 . . . . . 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 . . . . . 0 CA--C 1.529 0.136 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo . . . . . 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t . . . . . 0 CA--C 1.531 0.228 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 . . . . . 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo . . . . . 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t . . . . . 0 CA--C 1.529 0.155 0 N-CA-C 110.348 -0.241 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 119.456 -0.307 . . . . 0.0 110.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo . . . . . 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m . . . . . 0 N--CA 1.456 -0.142 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 . . . . . 0 N--CA 1.461 0.09 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 . . . . . 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 CA--C 1.532 0.263 0 CA-C-O 118.989 -0.529 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 . . . . . 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 111.873 0.323 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -78.9 71.5 5.37 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.996 0.918 . . . . 0.0 110.558 -175.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 29.9 p-80 -161.14 -161.27 0.8 Allowed 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 125.822 1.649 . . . . 0.0 107.945 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -77.13 56.73 1.3 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.345 1.058 . . . . 0.0 110.445 173.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -63.8 -23.14 67.24 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.628 0.771 . . . . 0.0 112.886 -175.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -54.2 -32.29 55.29 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.37 1.068 . . . . 0.0 112.135 173.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -70.75 -56.4 6.46 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 122.788 0.435 . . . . 0.0 110.109 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.16 36.98 0.88 Allowed 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.955 0.902 . . . . 0.0 111.746 -178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -59.82 -42.38 93.39 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.927 0.891 . . . . 0.0 112.611 -173.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.47 -51.37 70.16 Favored 'General case' 0 C--N 1.34 0.16 0 CA-C-N 118.378 0.535 . . . . 0.0 110.524 -178.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -56.1 -48.79 75.47 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 124.086 0.954 . . . . 0.0 110.431 177.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -58.11 -45.08 87.88 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.696 0.798 . . . . 0.0 111.636 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.36 -47.16 87.13 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.363 0.665 . . . . 0.0 110.37 179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -57.95 -41.98 81.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 CA-C-N 118.38 0.537 . . . . 0.0 111.059 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.9 mt -59.76 -51.55 69.27 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 118.534 0.606 . . . . 0.0 110.554 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -83.72 64.82 8.21 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.434 1.093 . . . . 0.0 110.485 -175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 40.7 mtt -132.69 120.1 16.44 Favored Pre-proline 0 CA--C 1.533 0.325 0 C-N-CA 125.646 1.578 . . . . 0.0 106.999 171.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 65.0 Cg_endo -70.37 -33.57 14.04 Favored 'Trans proline' 0 N--CA 1.457 -0.626 0 C-N-CA 123.338 2.692 . . . . 0.0 113.478 -169.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 -89.26 -17.68 28.52 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-O 119.051 -0.499 . . . . 0.0 111.789 -170.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.7 mt -72.03 137.68 47.36 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-N 118.598 0.635 . . . . 0.0 109.857 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -89.59 173.74 8.15 Favored 'General case' 0 CA--C 1.531 0.243 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 170.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -56.87 13.89 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.065 0.946 . . . . 0.0 111.817 -176.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -51.1 -47.5 61.9 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.591 0.756 . . . . 0.0 111.451 -178.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.92 -64.8 0.83 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.627 0.771 . . . . 0.0 111.351 178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 37.3 ptt85 -58.94 -44.87 91.47 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.273 0.488 . . . . 0.0 111.717 -173.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -64.35 -42.83 96.04 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.041 0.536 . . . . 0.0 110.863 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -57.19 -49.69 70.28 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.479 -0.648 . . . . 0.0 111.479 177.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -61.86 -42.89 99.6 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.636 0.774 . . . . 0.0 110.761 178.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.6 mt -57.75 -47.97 84.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-N 118.329 0.513 . . . . 0.0 110.58 176.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -61.95 -36.56 81.78 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.144 0.429 . . . . 0.0 111.426 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.5 m -62.52 -40.01 95.38 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.259 0.481 . . . . 0.0 110.771 174.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.47 -48.68 74.31 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.815 0.846 . . . . 0.0 110.083 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.7 mtpp -57.01 -45.06 83.33 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.71 0.804 . . . . 0.0 110.581 176.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -62.17 -42.39 99.22 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.381 1.072 . . . . 0.0 111.573 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -129.03 82.88 67.76 Favored Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 124.213 1.005 . . . . 0.0 110.023 -178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -52.91 -40.04 76.71 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 124.621 3.547 . . . . 0.0 114.05 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 83.0 p -59.56 -30.46 68.64 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 123.101 0.561 . . . . 0.0 112.4 -176.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 24.5 mm100 -89.61 39.95 0.97 Allowed 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 123.884 0.874 . . . . 0.0 110.756 -179.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 t -65.44 -57.33 8.57 Favored 'General case' 0 C--N 1.34 0.161 0 C-N-CA 123.01 0.524 . . . . 0.0 110.27 179.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.37 87.19 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.311 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -61.34 -57.92 10.33 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.688 0.795 . . . . 0.0 110.584 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -57.5 -43.88 83.78 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 C-N-CA 123.522 0.729 . . . . 0.0 110.577 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.42 -48.11 81.75 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.831 0.852 . . . . 0.0 110.956 177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.68 75.91 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 123.765 0.697 . . . . 0.0 111.408 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.0 mm-40 -64.47 -34.35 77.99 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 123.526 0.73 . . . . 0.0 111.607 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.08 -45.65 84.36 Favored 'General case' 0 C--N 1.339 0.142 0 C-N-CA 123.138 0.575 . . . . 0.0 110.244 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -62.99 -38.92 93.07 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.072 0.549 . . . . 0.0 110.767 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -64.23 -46.48 83.63 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.318 0.647 . . . . 0.0 110.556 176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.0 tp -60.99 -40.24 92.72 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 124.649 1.18 . . . . 0.0 110.797 178.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -62.95 -50.67 69.88 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.639 0.776 . . . . 0.0 110.229 174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -58.23 -47.27 84.05 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 124.526 1.13 . . . . 0.0 111.431 -177.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 p -60.3 -32.99 71.73 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 123.173 0.589 . . . . 0.0 111.804 178.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -89.81 11.05 21.32 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.724 0.81 . . . . 0.0 112.305 178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.65 126.44 92.56 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 119.126 0.876 . . . . 0.0 109.737 176.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -53.68 -49.92 15.58 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 123.471 2.781 . . . . 0.0 113.122 175.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt . . . . . 0 C--O 1.251 1.162 0 CA-C-O 116.64 -1.648 . . . . 0.0 110.49 -175.25 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.778 0.288 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -71.38 -48.67 48.51 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.533 0.733 . . . . 0.0 110.741 -179.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -134.49 77.45 1.69 Allowed 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.297 1.039 . . . . 0.0 109.347 -173.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -81.81 66.84 7.55 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.583 0.753 . . . . 0.0 109.291 177.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -65.65 -28.79 69.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 123.566 0.746 . . . . 0.0 111.718 -176.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.29 -46.5 86.49 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 123.257 0.623 . . . . 0.0 110.772 173.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -67.46 -44.4 78.71 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.404 0.682 . . . . 0.0 110.326 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -51.85 -52.57 48.5 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.453 1.101 . . . . 0.0 109.72 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -58.02 -44.81 87.5 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.171 0.988 . . . . 0.0 111.143 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.1 -54.09 50.64 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.289 0.495 . . . . 0.0 111.194 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.4 m-85 -60.56 -50.41 73.67 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.538 0.335 . . . . 0.0 111.435 176.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -51.8 -53.93 34.55 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 124.506 1.122 . . . . 0.0 111.423 -178.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 25.0 mm100 -54.76 -54.33 43.5 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.423 0.689 . . . . 0.0 110.442 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.7 t -56.7 -41.78 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 C-N-CA 122.866 0.466 . . . . 0.0 111.518 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.12 -41.82 97.41 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 122.886 0.474 . . . . 0.0 111.464 175.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -79.43 -29.01 41.69 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 124.007 0.923 . . . . 0.0 113.415 -174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 26.6 mtt -46.71 110.45 1.26 Allowed Pre-proline 0 CA--C 1.539 0.543 0 C-N-CA 125.268 1.427 . . . . 0.0 111.222 -177.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -77.84 -25.47 7.64 Favored 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 123.282 2.655 . . . . 0.0 113.614 -169.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.6 m-20 -88.75 -15.04 35.71 Favored 'General case' 0 C--N 1.339 0.141 0 CA-C-N 118.533 0.606 . . . . 0.0 111.519 -170.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 75.7 mt -69.48 168.66 14.09 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 169.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -111.5 -179.58 3.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.186 0.994 . . . . 0.0 108.32 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.25 -55.93 28.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.328 0.651 . . . . 0.0 111.045 -178.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -53.86 -45.78 71.09 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.546 0.738 . . . . 0.0 111.564 -178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 35.1 mm-40 -61.37 -59.52 5.14 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.309 0.644 . . . . 0.0 111.423 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -62.97 -45.47 92.28 Favored 'General case' 0 C--N 1.341 0.212 0 CA-C-N 117.809 0.277 . . . . 0.0 111.365 -173.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -60.8 -39.58 89.43 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 122.744 0.418 . . . . 0.0 110.557 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.02 -56.38 21.32 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 174.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.04 -41.38 92.14 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 123.135 0.574 . . . . 0.0 111.755 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.5 mt -58.2 -49.37 81.93 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 123.219 0.607 . . . . 0.0 110.24 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -60.61 -40.88 93.48 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.276 0.63 . . . . 0.0 111.195 177.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.4 m -59.11 -39.98 83.93 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.274 0.488 . . . . 0.0 111.056 174.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.42 -46.82 75.26 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.484 0.714 . . . . 0.0 110.545 178.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -60.27 -41.3 93.02 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 123.464 0.706 . . . . 0.0 110.951 177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -65.05 -46.18 82.29 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 124.392 1.077 . . . . 0.0 110.989 177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -119.76 81.04 25.09 Favored Pre-proline 0 CA--C 1.534 0.328 0 C-N-CA 125.046 1.338 . . . . 0.0 109.622 -178.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_endo -82.58 58.2 6.39 Favored 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 123.387 2.725 . . . . 0.0 109.681 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 99.4 p -142.67 -54.28 0.41 Allowed 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.17 0.988 . . . . 0.0 109.74 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -89.14 51.98 2.28 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.4 m -62.75 -42.76 99.82 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.768 1.227 . . . . 0.0 110.272 -178.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.17 -38.57 83.58 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.39 1.076 . . . . 0.0 111.521 175.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -67.28 -49.51 64.03 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 122.729 0.412 . . . . 0.0 110.229 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.5 t -56.83 -48.04 81.87 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 C-N-CA 123.869 0.867 . . . . 0.0 110.421 177.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -57.62 -46.31 84.29 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.556 0.743 . . . . 0.0 110.414 175.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.98 -57.55 19.23 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.638 1.113 . . . . 0.0 112.168 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -63.06 -38.62 91.9 Favored 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 117.409 0.605 . . . . 0.0 111.491 -178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -46.98 86.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 122.847 0.459 . . . . 0.0 110.895 176.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 22.7 tp60 -63.89 -40.24 96.05 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.784 0.834 . . . . 0.0 110.939 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.5 tptp -63.25 -43.24 98.56 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.326 0.65 . . . . 0.0 110.442 176.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.9 tp -65.08 -45.19 86.27 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -55.27 -48.21 74.35 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.896 0.878 . . . . 0.0 110.515 174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -59.66 -49.56 77.26 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.869 0.868 . . . . 0.0 111.076 179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.1 p -62.2 -32.6 73.27 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.941 0.496 . . . . 0.0 111.965 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.29 9.37 26.22 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.881 0.872 . . . . 0.0 111.973 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.62 139.46 93.97 Favored Pre-proline 0 CA--C 1.533 0.321 0 CA-C-N 119.05 0.841 . . . . 0.0 110.292 177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -67.43 -44.24 4.89 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 122.997 2.465 . . . . 0.0 110.702 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp . . . . . 0 C--O 1.251 1.177 0 CA-C-O 117.224 -1.37 . . . . 0.0 109.264 175.446 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 N-CA-C 111.833 0.309 . . . . 0.0 111.833 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.0 179.87 3.55 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 123.863 0.865 . . . . 0.0 111.076 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 72.1 t60 -53.67 -66.1 0.45 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.102 0.961 . . . . 0.0 110.396 176.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -164.27 113.31 1.17 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.217 1.007 . . . . 0.0 108.334 171.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.85 -32.95 65.8 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.334 0.653 . . . . 0.0 111.835 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -86.44 38.0 0.76 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.809 0.844 . . . . 0.0 112.939 -170.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.36 -69.82 0.28 Allowed 'General case' 0 C--N 1.34 0.18 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 178.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 pm0 -50.32 -40.47 48.94 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.16 1.384 . . . . 0.0 112.211 178.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -61.38 -52.37 64.89 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.059 0.944 . . . . 0.0 110.502 178.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.42 -47.1 83.32 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 122.985 0.514 . . . . 0.0 111.462 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -53.18 -54.1 40.81 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 123.258 0.623 . . . . 0.0 110.685 176.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -57.61 -46.28 84.28 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.231 0.612 . . . . 0.0 111.346 -178.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.35 -47.81 82.59 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 118.778 -0.629 . . . . 0.0 111.234 177.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 53.2 t -56.88 -45.52 83.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.219 0.608 . . . . 0.0 110.97 177.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -58.71 -43.74 90.18 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 118.183 0.447 . . . . 0.0 110.792 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -82.29 68.46 8.72 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.855 0.862 . . . . 0.0 110.41 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 55.5 mtt -133.67 82.27 51.26 Favored Pre-proline 0 CA--C 1.533 0.321 0 C-N-CA 124.082 0.953 . . . . 0.0 109.899 175.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_exo -54.89 -23.22 33.33 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 125.125 3.883 . . . . 0.0 115.562 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -88.12 -29.47 20.56 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.672 0.669 . . . . 0.0 109.911 -172.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 66.9 mt -73.72 170.06 16.05 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 169.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.2 p-10 -103.76 -174.61 2.58 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 124.0 0.92 . . . . 0.0 108.535 169.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.91 76.04 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.124 0.57 . . . . 0.0 110.753 176.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -53.99 -55.01 31.16 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 124.186 0.994 . . . . 0.0 112.003 -173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.2 mm100 -65.2 -52.55 54.09 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.211 0.605 . . . . 0.0 111.284 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -60.67 -47.54 85.81 Favored 'General case' 0 C--N 1.342 0.277 0 CA-C-N 117.974 0.352 . . . . 0.0 110.87 -177.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -61.16 -35.99 78.6 Favored 'General case' 0 C--N 1.34 0.185 0 C-N-CA 123.323 0.649 . . . . 0.0 110.93 176.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.09 -49.05 44.64 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 172.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -66.55 -36.93 83.87 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 118.352 -0.832 . . . . 0.0 112.101 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.6 mm -56.49 -50.94 70.61 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 CA-C-N 119.738 1.154 . . . . 0.0 109.903 174.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -57.47 -45.46 84.79 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 123.27 0.628 . . . . 0.0 110.96 177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.8 m -58.14 -39.2 78.15 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 122.955 0.502 . . . . 0.0 111.345 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.8 -46.49 68.52 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.67 0.788 . . . . 0.0 110.301 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -57.48 -41.7 81.18 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.98 0.354 . . . . 0.0 110.965 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -66.29 -43.04 87.47 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 123.483 0.713 . . . . 0.0 111.308 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -122.36 74.64 41.91 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.063 1.345 . . . . 0.0 109.847 -175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -66.01 -33.51 41.41 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 123.357 2.705 . . . . 0.0 111.606 -176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 20.3 p -57.36 -41.91 81.05 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.144 0.978 . . . . 0.0 111.24 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -89.64 42.62 1.1 Allowed 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.906 0.883 . . . . 0.0 110.927 -174.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.0 t -61.32 -53.01 62.2 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.91 0.884 . . . . 0.0 110.335 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -41.64 80.5 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.384 1.074 . . . . 0.0 111.768 -179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.0 t30 -63.59 -56.64 14.33 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.164 0.586 . . . . 0.0 110.512 179.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.5 t -56.92 -45.88 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 C-N-CA 123.857 0.863 . . . . 0.0 110.785 -179.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -56.19 -50.37 71.41 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.942 1.297 . . . . 0.0 110.084 175.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.72 -55.11 30.52 Favored Glycine 0 CA--C 1.528 0.848 0 C-N-CA 124.297 0.951 . . . . 0.0 111.629 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -52.58 -50.58 62.7 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 124.484 1.114 . . . . 0.0 110.758 178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.2 87.84 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.64 0.776 . . . . 0.0 111.715 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -66.18 -42.85 88.3 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.332 0.653 . . . . 0.0 111.169 -177.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -62.71 -40.05 95.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 122.689 0.395 . . . . 0.0 110.738 175.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 12.3 tp -64.3 -46.85 81.81 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.089 0.404 . . . . 0.0 110.405 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -55.04 -51.64 65.67 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.169 0.988 . . . . 0.0 110.443 175.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -58.04 -51.74 68.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.428 1.091 . . . . 0.0 111.476 -178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 p -65.42 -46.03 81.57 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.454 0.702 . . . . 0.0 111.684 -177.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -89.3 48.35 1.6 Allowed 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 123.313 0.645 . . . . 0.0 110.236 -177.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 144.29 90.27 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 123.244 0.617 . . . . 0.0 109.987 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.71 ' O ' ' HB3' ' A' ' 56' ' ' LYS . 59.3 Cg_endo -67.68 -40.75 9.43 Favored 'Trans proline' 0 N--CA 1.455 -0.737 0 C-N-CA 123.146 2.564 . . . . 0.0 111.319 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.71 ' HB3' ' O ' ' A' ' 55' ' ' PRO . 66.6 tttm . . . . . 0 C--O 1.251 1.156 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.519 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.768 0 N-CA-C 111.755 0.28 . . . . 0.0 111.755 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.6 tp60 -61.9 110.87 1.68 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.702 0.801 . . . . 0.0 109.647 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 84.6 t60 55.05 61.33 2.99 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.029 1.332 . . . . 0.0 110.881 -177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -87.24 27.55 1.04 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.517 0.727 . . . . 0.0 111.337 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.16 -26.94 68.39 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.187 0.595 . . . . 0.0 111.632 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.99 -37.91 75.14 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.926 0.89 . . . . 0.0 111.462 170.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 mm-40 -75.93 -43.51 44.66 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.393 0.677 . . . . 0.0 109.64 177.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.8 mt-30 -60.43 -18.58 51.96 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 123.827 0.851 . . . . 0.0 112.101 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -50.51 -37.34 38.4 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.434 1.094 . . . . 0.0 112.739 176.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.49 -47.28 86.11 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 122.624 0.37 . . . . 0.0 110.808 176.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 m-85 -63.39 -44.21 95.36 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.834 0.854 . . . . 0.0 110.254 177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -54.36 -51.26 65.35 Favored 'General case' 0 C--N 1.343 0.283 0 C-N-CA 123.023 0.529 . . . . 0.0 109.922 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -56.68 -51.81 67.34 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 122.918 0.487 . . . . 0.0 111.223 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 68.1 t -55.12 -40.56 55.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 C-N-CA 122.876 0.47 . . . . 0.0 111.563 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.03 -43.34 83.03 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.844 0.458 . . . . 0.0 111.291 175.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -64.71 -37.74 88.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.894 0.878 . . . . 0.0 112.299 -175.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 38.1 mtt -46.39 109.53 1.03 Allowed Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 125.304 1.442 . . . . 0.0 111.277 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -79.54 -21.59 8.61 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 123.423 2.748 . . . . 0.0 113.702 -169.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -88.56 -21.52 24.04 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.611 0.641 . . . . 0.0 110.634 -172.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 56.8 mt -69.37 141.7 54.12 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 169.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 p-10 -89.74 -176.4 4.96 Favored 'General case' 0 CA--C 1.531 0.229 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 169.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.31 -52.11 65.73 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.6 0.76 . . . . 0.0 110.897 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -51.42 -51.69 52.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.813 0.845 . . . . 0.0 111.644 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.1 mm-40 -63.9 -55.88 19.41 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.309 0.643 . . . . 0.0 111.602 -177.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -59.87 -44.05 94.37 Favored 'General case' 0 C--N 1.342 0.243 0 CA-C-N 118.166 0.439 . . . . 0.0 111.071 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -61.58 -43.22 99.27 Favored 'General case' 0 C--N 1.341 0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.347 175.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.54 -55.39 22.89 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -59.41 -43.23 93.05 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-O 118.981 -0.533 . . . . 0.0 111.485 178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.5 mt -56.53 -48.17 80.75 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-N 118.801 0.728 . . . . 0.0 110.763 177.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -60.59 -43.01 97.85 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 122.713 0.405 . . . . 0.0 111.023 177.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -59.41 -39.45 83.5 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 118.166 0.439 . . . . 0.0 111.457 175.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.65 -51.13 68.47 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.377 1.071 . . . . 0.0 109.856 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -58.46 -44.06 89.12 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.798 0.839 . . . . 0.0 111.06 177.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -63.84 -43.24 96.76 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.022 0.929 . . . . 0.0 111.403 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -129.2 82.11 69.0 Favored Pre-proline 0 CA--C 1.533 0.326 0 C-N-CA 124.294 1.038 . . . . 0.0 110.511 -178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.4 -36.0 93.04 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 123.796 2.997 . . . . 0.0 111.74 171.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.2 p -52.21 -43.81 64.42 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.702 1.201 . . . . 0.0 111.24 173.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -93.97 28.82 2.29 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.249 1.019 . . . . 0.0 111.47 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 p -57.64 -54.38 47.48 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.596 0.635 . . . . 0.0 110.977 177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.73 -44.07 81.3 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 124.172 0.989 . . . . 0.0 111.625 179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -60.79 -52.41 65.18 Favored 'General case' 0 C--N 1.34 0.166 0 C-N-CA 123.247 0.619 . . . . 0.0 110.595 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.6 t -54.57 -45.49 71.53 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 C-N-CA 124.466 1.106 . . . . 0.0 110.803 178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 tt -57.49 -49.84 74.99 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.931 0.893 . . . . 0.0 109.448 176.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.88 -51.03 56.12 Favored Glycine 0 CA--C 1.529 0.948 0 C-N-CA 124.457 1.027 . . . . 0.0 112.278 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -60.85 -43.98 97.61 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 123.833 0.853 . . . . 0.0 110.944 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.87 83.85 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.054 0.541 . . . . 0.0 110.975 178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 tp60 -63.77 -42.13 97.84 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.474 0.71 . . . . 0.0 111.079 179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.04 -45.26 93.11 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.552 0.741 . . . . 0.0 110.572 178.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.3 tp -66.19 -43.84 85.65 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 122.835 0.454 . . . . 0.0 110.333 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -55.68 -49.58 72.57 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.667 0.787 . . . . 0.0 110.372 174.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -59.19 -49.06 79.29 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.198 0.999 . . . . 0.0 111.066 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -61.49 -33.1 73.21 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 122.738 0.415 . . . . 0.0 111.808 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -89.41 9.97 24.33 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.96 0.904 . . . . 0.0 112.116 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.09 140.07 88.08 Favored Pre-proline 0 CA--C 1.533 0.319 0 CA-C-N 119.063 0.847 . . . . 0.0 110.141 177.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -67.27 -44.12 5.27 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.988 2.459 . . . . 0.0 110.718 179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.9 mttm . . . . . 0 C--O 1.251 1.165 0 CA-C-O 117.177 -1.392 . . . . 0.0 109.427 175.812 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 111.793 0.294 . . . . 0.0 111.793 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 41.5 mt-30 -76.37 85.43 3.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.844 0.858 . . . . 0.0 109.186 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.4 m80 -82.5 -152.51 0.11 Allowed 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.751 1.221 . . . . 0.0 108.873 177.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -78.24 74.34 4.79 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 169.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -60.8 -36.38 78.87 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.699 0.8 . . . . 0.0 111.474 -175.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.33 64.37 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 118.257 0.48 . . . . 0.0 110.954 176.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 15.2 tp60 -63.72 -45.95 87.61 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 123.503 0.721 . . . . 0.0 111.068 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -54.89 -57.61 10.91 Favored 'General case' 0 C--N 1.34 0.184 0 C-N-CA 123.895 0.878 . . . . 0.0 110.216 177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -59.63 -36.52 76.52 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.028 0.931 . . . . 0.0 111.512 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.34 -54.67 33.4 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 118.665 0.666 . . . . 0.0 111.271 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -58.38 -48.44 80.63 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 118.228 0.467 . . . . 0.0 110.822 176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -55.11 -47.82 74.48 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.387 1.075 . . . . 0.0 111.032 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -55.4 -57.22 12.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.081 0.952 . . . . 0.0 110.402 176.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.6 t -52.38 -42.96 39.67 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 123.404 0.682 . . . . 0.0 111.487 -178.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 66.1 mt -66.95 -52.66 40.21 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -84.03 60.5 5.9 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 124.317 1.047 . . . . 0.0 110.449 -175.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 29.8 mtt -141.37 89.09 9.58 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.832 1.653 . . . . 0.0 107.901 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_exo -50.63 -27.68 20.21 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 125.261 3.974 . . . . 0.0 116.078 -174.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -88.74 -14.3 37.52 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 118.568 0.622 . . . . 0.0 111.605 -171.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 82.8 mt -78.77 132.24 36.84 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 174.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.7 p-10 -89.09 175.99 7.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.155 -0.683 . . . . 0.0 109.155 175.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.59 -51.89 51.84 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.866 0.866 . . . . 0.0 111.552 -178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -51.47 -53.16 40.11 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 124.105 0.962 . . . . 0.0 111.292 -178.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -64.88 -57.55 8.52 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.733 0.813 . . . . 0.0 111.137 -177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -64.39 -44.8 90.17 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -172.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -64.93 -41.4 95.56 Favored 'General case' 0 C--N 1.34 0.176 0 CA-C-N 118.309 0.504 . . . . 0.0 110.24 175.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.62 -51.13 45.77 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 174.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -59.45 -48.87 79.97 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.924 0.89 . . . . 0.0 111.543 177.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 65.9 mt -57.14 -51.4 69.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.317 0 C-N-CA 123.223 0.609 . . . . 0.0 110.641 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.0 mm-40 -62.29 -41.87 98.87 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.452 0.701 . . . . 0.0 111.371 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.1 t -58.45 -43.8 88.96 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.203 0.601 . . . . 0.0 110.719 175.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 tt -64.82 -46.37 82.24 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.566 0.747 . . . . 0.0 110.252 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -58.21 -41.6 84.38 Favored 'General case' 0 CA--C 1.532 0.284 0 O-C-N 121.737 -0.602 . . . . 0.0 111.043 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.57 -40.09 94.93 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.704 0.802 . . . . 0.0 111.359 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -127.4 82.55 68.02 Favored Pre-proline 0 CA--C 1.534 0.362 0 C-N-CA 124.628 1.171 . . . . 0.0 109.994 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -50.71 -36.25 50.46 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 124.374 3.383 . . . . 0.0 113.498 179.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.8 p -53.07 -30.75 37.87 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.183 1.393 . . . . 0.0 112.881 176.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -89.3 38.66 0.91 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.902 0.881 . . . . 0.0 111.32 -174.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 69.1 m -63.02 -61.17 2.57 Favored 'General case' 0 CA--C 1.53 0.181 0 O-C-N 121.995 -0.441 . . . . 0.0 109.84 175.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.64 -39.26 87.61 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 124.017 0.927 . . . . 0.0 111.715 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -60.35 -57.5 12.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.12 0.568 . . . . 0.0 110.276 178.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.4 t -57.16 -42.79 80.43 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 C-N-CA 123.19 0.596 . . . . 0.0 111.109 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.2 tt -53.48 -56.78 14.06 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.634 0.773 . . . . 0.0 109.668 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.64 -53.24 45.22 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 124.224 0.916 . . . . 0.0 112.253 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -54.56 -52.38 62.29 Favored 'General case' 0 C--N 1.339 0.136 0 C-N-CA 124.345 1.058 . . . . 0.0 110.922 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.51 -41.76 90.69 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.815 0.846 . . . . 0.0 111.603 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -61.27 -50.77 71.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.162 0.585 . . . . 0.0 111.206 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -67.34 -35.22 78.95 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 119.281 -0.39 . . . . 0.0 111.644 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -65.64 -44.58 86.0 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 118.392 0.542 . . . . 0.0 110.24 178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -58.34 -54.54 45.82 Favored 'General case' 0 CA--C 1.529 0.157 0 C-N-CA 123.52 0.728 . . . . 0.0 110.018 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -56.49 -50.06 72.86 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.3 1.04 . . . . 0.0 111.741 -176.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 81.6 p -60.57 -31.91 71.02 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.871 0.868 . . . . 0.0 112.008 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.75 57.27 4.09 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 178.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.95 125.04 91.79 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 118.429 -0.796 . . . . 0.0 109.326 177.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -50.67 -49.11 17.73 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 123.82 3.013 . . . . 0.0 112.518 176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.8 mttm . . . . . 0 C--O 1.251 1.144 0 CA-C-O 117.215 -1.374 . . . . 0.0 109.297 176.079 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.708 0 CA-C-O 120.573 0.225 . . . . 0.0 111.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -160.62 161.48 32.49 Favored 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 123.832 0.853 . . . . 0.0 110.749 178.319 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.13 -32.92 71.46 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 125.182 1.393 . . . . 0.0 112.047 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -70.18 83.06 0.53 Allowed 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.338 1.055 . . . . 0.0 110.049 -179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -57.76 -30.39 65.58 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.57 1.148 . . . . 0.0 112.999 -176.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.51 -53.83 41.86 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.399 0.679 . . . . 0.0 110.197 177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -63.38 -40.28 96.81 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.392 0.677 . . . . 0.0 110.72 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -58.07 -50.57 72.98 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.222 0.609 . . . . 0.0 110.585 177.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 -59.62 -41.44 90.4 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.252 1.021 . . . . 0.0 110.733 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.58 75.66 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.021 0.528 . . . . 0.0 111.169 178.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -59.98 -47.96 83.69 Favored 'General case' 0 C--N 1.339 0.144 0 C-N-CA 123.445 0.698 . . . . 0.0 110.312 177.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -56.31 -47.26 79.06 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.211 1.404 . . . . 0.0 110.98 -178.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -55.04 -50.33 69.36 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-O 118.913 -0.565 . . . . 0.0 110.629 175.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.95 -42.33 85.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.357 0 CA-C-O 119.095 -0.479 . . . . 0.0 111.686 179.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.7 mt -58.22 -46.48 85.79 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.657 0.662 . . . . 0.0 110.69 175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -81.33 64.56 6.11 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 124.031 0.932 . . . . 0.0 110.407 -179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 57.0 mtt -139.17 90.92 11.56 Favored Pre-proline 0 CA--C 1.534 0.341 0 C-N-CA 125.442 1.497 . . . . 0.0 107.926 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -48.05 -32.93 19.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 125.247 3.965 . . . . 0.0 116.227 -173.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 36.5 m-20 -89.05 -12.22 41.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 118.944 -0.55 . . . . 0.0 111.905 -171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.7 142.58 38.68 Favored 'General case' 0 C--N 1.342 0.28 0 CA-C-N 118.829 0.74 . . . . 0.0 109.742 172.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.1 p30 -89.77 175.17 7.34 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 169.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.01 -56.33 21.0 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.957 0.903 . . . . 0.0 111.5 -177.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.88 -47.46 67.85 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.001 0.921 . . . . 0.0 111.439 -177.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -61.2 -60.41 3.8 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.212 1.005 . . . . 0.0 111.145 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.3 ptt180 -63.82 -44.77 92.26 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 119.688 -0.196 . . . . 0.0 111.478 -172.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -62.44 -44.36 96.61 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 122.876 0.471 . . . . 0.0 110.307 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.95 -54.21 26.73 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.266 -0.733 . . . . 0.0 111.266 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -56.01 -47.4 77.84 Favored 'General case' 0 C--O 1.224 -0.238 0 CA-C-O 118.846 -0.597 . . . . 0.0 111.075 176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -56.52 -43.94 79.41 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 118.767 0.712 . . . . 0.0 111.477 -179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -62.36 -44.4 96.56 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.643 0.656 . . . . 0.0 111.048 176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.0 m -59.71 -40.33 87.57 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 122.708 0.403 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.3 tt -67.05 -45.7 76.6 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.281 1.432 . . . . 0.0 110.126 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.0 ttpt -60.28 -47.05 87.68 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.896 1.279 . . . . 0.0 110.662 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -64.93 -44.64 88.83 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.035 0.934 . . . . 0.0 111.18 179.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 -118.81 78.73 16.11 Favored Pre-proline 0 CA--C 1.533 0.31 0 C-N-CA 125.022 1.329 . . . . 0.0 109.931 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -63.79 -30.54 68.72 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.864 2.376 . . . . 0.0 110.879 176.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.4 p -55.86 -37.79 69.25 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.152 0.981 . . . . 0.0 111.437 172.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -93.97 27.24 2.86 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.956 0.903 . . . . 0.0 111.489 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 p -56.85 -56.16 25.13 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 118.673 0.669 . . . . 0.0 110.887 177.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.26 -44.88 75.98 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.501 1.12 . . . . 0.0 111.902 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -60.7 -54.02 50.39 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.347 0.659 . . . . 0.0 110.71 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.6 t -60.83 -41.07 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.586 0.754 . . . . 0.0 110.904 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 37.6 mt -57.63 -44.35 85.49 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.862 0.465 . . . . 0.0 110.273 172.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -55.32 -51.0 57.33 Favored Glycine 0 CA--C 1.53 1.01 0 C-N-CA 123.898 0.761 . . . . 0.0 111.712 175.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.18 -39.95 94.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.27 0.628 . . . . 0.0 111.528 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.7 -47.65 77.54 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.403 0.681 . . . . 0.0 111.086 179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mm100 -57.32 -46.96 82.71 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 123.922 0.889 . . . . 0.0 110.677 174.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.8 ttpt -59.99 -48.72 80.56 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.954 0.902 . . . . 0.0 110.94 -179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.8 tp -67.48 -40.02 85.27 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 122.645 0.378 . . . . 0.0 110.728 -177.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -59.18 -50.18 75.0 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 123.117 0.567 . . . . 0.0 110.294 174.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -57.67 -50.4 73.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.993 0.917 . . . . 0.0 110.967 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 83.9 p -58.42 -34.06 70.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 122.982 0.513 . . . . 0.0 111.969 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -89.5 9.89 24.84 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.068 0.947 . . . . 0.0 112.339 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.0 156.99 91.32 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 118.974 0.807 . . . . 0.0 110.435 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -52.55 -45.81 37.55 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.624 2.883 . . . . 0.0 113.383 175.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 C--O 1.251 1.144 0 C-N-CA 125.082 1.353 . . . . 0.0 110.356 -177.072 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 111.467 0.173 . . . . 0.0 111.467 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -63.47 -51.29 66.28 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.574 0.75 . . . . 0.0 109.82 177.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t-80 -79.5 68.36 5.51 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.098 0.959 . . . . 0.0 109.071 176.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -76.74 93.59 3.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -56.53 -41.5 76.88 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.824 1.249 . . . . 0.0 112.358 -175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.29 -54.71 36.79 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.782 0.433 . . . . 0.0 110.891 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 34.4 mm-40 -64.21 -51.22 64.75 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 123.425 0.69 . . . . 0.0 111.843 -176.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -58.63 -41.79 86.79 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.48 0.582 . . . . 0.0 111.271 -178.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -63.59 -47.8 79.98 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 122.983 0.513 . . . . 0.0 110.143 177.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.0 -47.55 77.54 Favored 'General case' 0 CA--C 1.534 0.343 0 C-N-CA 123.127 0.571 . . . . 0.0 111.196 178.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.1 m-30 -58.13 -45.68 86.92 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.624 0.369 . . . . 0.0 110.182 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -60.22 -38.6 83.88 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.079 0.952 . . . . 0.0 112.454 -177.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -55.9 -51.12 68.73 Favored 'General case' 0 C--N 1.342 0.27 0 CA-C-N 118.633 0.651 . . . . 0.0 110.092 171.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.0 t -64.97 -36.34 77.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.386 0 C-N-CA 123.164 0.586 . . . . 0.0 111.495 -177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.0 mt -60.55 -44.9 95.61 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.683 0.674 . . . . 0.0 110.233 171.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -80.03 64.09 4.76 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.031 0.932 . . . . 0.0 110.076 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.3 mmt -133.91 105.71 11.58 Favored Pre-proline 0 CA--C 1.533 0.303 0 C-N-CA 125.866 1.666 . . . . 0.0 107.071 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -71.32 -31.28 14.44 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.969 2.446 . . . . 0.0 113.114 -169.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -89.58 -24.74 21.63 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 122.98 0.512 . . . . 0.0 111.747 -171.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 70.3 mt -66.38 143.85 56.9 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 118.417 0.553 . . . . 0.0 110.716 175.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -89.53 167.89 12.61 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.935 0.894 . . . . 0.0 109.167 170.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.14 -53.67 32.3 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.637 1.175 . . . . 0.0 111.989 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -52.72 -50.51 63.27 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.304 0.642 . . . . 0.0 111.672 -177.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 31.9 mt-30 -66.71 -53.84 29.34 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 119.028 -0.51 . . . . 0.0 111.697 -177.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.7 ptt85 -62.56 -44.61 95.9 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 118.633 0.651 . . . . 0.0 111.929 -176.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.3 m-80 -65.59 -40.86 93.19 Favored 'General case' 0 C--N 1.339 0.149 0 CA-C-N 118.062 0.392 . . . . 0.0 110.491 176.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.13 -51.02 53.2 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -57.49 -49.62 75.72 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.022 0.929 . . . . 0.0 111.082 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -56.02 -47.79 79.72 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.273 0 C-N-CA 123.036 0.535 . . . . 0.0 110.813 179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -61.18 -42.68 99.01 Favored 'General case' 0 CA--C 1.53 0.178 0 C-N-CA 123.04 0.536 . . . . 0.0 111.175 178.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 m -57.91 -40.07 79.46 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 118.222 0.464 . . . . 0.0 110.919 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.75 -41.88 82.66 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 123.849 0.859 . . . . 0.0 110.655 178.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -59.07 -43.59 91.77 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.959 0.504 . . . . 0.0 110.611 174.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -64.15 -40.47 96.21 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.53 0.732 . . . . 0.0 111.14 177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -128.86 82.4 68.8 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.418 1.087 . . . . 0.0 110.199 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -50.04 -38.66 50.0 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 124.416 3.411 . . . . 0.0 113.234 176.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -57.64 -30.18 65.17 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.468 1.507 . . . . 0.0 112.907 178.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -89.26 43.61 1.16 Allowed 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 123.626 0.77 . . . . 0.0 110.178 -175.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.7 p -66.75 -67.21 0.47 Allowed 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.46 0.704 . . . . 0.0 109.802 179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -51.81 -40.65 60.8 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.629 1.171 . . . . 0.0 111.86 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -59.88 -56.92 15.74 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 123.936 0.894 . . . . 0.0 111.086 177.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.36 -47.07 95.12 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 C-N-CA 123.015 0.526 . . . . 0.0 110.897 -177.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.0 mp -59.08 -39.84 83.36 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.642 0.377 . . . . 0.0 110.464 176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.19 -61.29 7.67 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.189 0.9 . . . . 0.0 111.468 178.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -63.3 -36.2 82.9 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 117.251 0.526 . . . . 0.0 111.931 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.44 -50.25 72.21 Favored 'General case' 0 C--N 1.34 0.173 0 C-N-CA 123.263 0.625 . . . . 0.0 110.885 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -65.11 -41.77 94.61 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.391 0.676 . . . . 0.0 110.914 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -60.06 -48.83 80.08 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.548 0.739 . . . . 0.0 110.395 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.13 -44.39 79.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 119.531 -0.271 . . . . 0.0 110.382 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -50.94 -49.35 60.0 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.379 0.672 . . . . 0.0 110.371 174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -60.02 -46.9 88.0 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.833 0.853 . . . . 0.0 111.182 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.4 p -63.57 -29.3 70.58 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 118.186 0.448 . . . . 0.0 112.183 179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -89.08 7.25 35.94 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.634 0.774 . . . . 0.0 111.897 177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.77 126.08 91.76 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 119.322 0.965 . . . . 0.0 110.061 177.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -49.79 -45.24 32.86 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 123.758 2.972 . . . . 0.0 113.007 174.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 tmtm? . . . . . 0 C--O 1.25 1.125 0 CA-C-O 117.324 -1.322 . . . . 0.0 108.228 178.68 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 111.726 0.269 . . . . 0.0 111.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -69.12 141.98 54.52 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.412 0.685 . . . . 0.0 109.476 176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -57.32 -53.02 62.86 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 171.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -79.96 90.26 5.35 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 107.484 -1.302 . . . . 0.0 107.484 169.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -63.14 -9.64 11.66 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.39 -41.25 79.88 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 118.858 0.754 . . . . 0.0 109.744 169.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -67.25 -46.56 73.36 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 118.22 -0.895 . . . . 0.0 111.531 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -63.23 -40.04 96.33 Favored 'General case' 0 C--N 1.344 0.352 0 CA-C-N 119.698 1.136 . . . . 0.0 110.842 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -60.75 -47.69 85.17 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.275 0.63 . . . . 0.0 110.033 176.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.427 ' HB1' HD11 ' A' ' 32' ' ' LEU . . . -60.63 -45.03 95.59 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.199 0.599 . . . . 0.0 111.297 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -57.91 -54.4 47.31 Favored 'General case' 0 C--O 1.225 -0.2 0 C-N-CA 123.203 0.601 . . . . 0.0 109.76 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -54.7 -42.82 71.92 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.049 1.34 . . . . 0.0 111.741 -177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -61.69 -47.5 85.02 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.838 0.855 . . . . 0.0 110.863 176.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 46.1 t -61.46 -38.04 79.15 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 122.885 0.474 . . . . 0.0 111.462 176.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.6 mt -62.58 -40.25 96.29 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 118.808 0.731 . . . . 0.0 110.267 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -80.02 63.09 4.43 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 123.869 0.868 . . . . 0.0 110.193 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.1 mmt -131.34 81.8 64.26 Favored Pre-proline 0 CA--C 1.535 0.368 0 C-N-CA 125.352 1.461 . . . . 0.0 107.16 175.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -69.66 -13.87 35.55 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 123.596 2.864 . . . . 0.0 114.166 -169.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -88.82 -20.63 24.43 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 118.767 0.712 . . . . 0.0 110.842 -178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 67.8 mt -77.64 176.39 9.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.165 0.586 . . . . 0.0 109.953 172.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.3 p-10 -108.64 -176.99 3.19 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.656 1.182 . . . . 0.0 107.914 168.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.54 -51.56 69.33 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 122.835 0.454 . . . . 0.0 110.533 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -52.57 -54.61 30.59 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.366 1.067 . . . . 0.0 112.046 -172.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -68.85 -49.07 61.48 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.141 0.577 . . . . 0.0 111.274 -174.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -62.73 -48.06 80.89 Favored 'General case' 0 C--N 1.342 0.269 0 CA-C-N 118.105 0.411 . . . . 0.0 110.883 -178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -63.16 -34.19 77.09 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 122.901 0.48 . . . . 0.0 111.091 177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -51.48 -49.52 45.32 Favored Glycine 0 CA--C 1.529 0.944 0 N-CA-C 110.695 -0.962 . . . . 0.0 110.695 170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -64.34 -39.51 94.03 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 117.929 -1.034 . . . . 0.0 112.126 175.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.9 mm -54.25 -50.95 52.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 120.056 1.298 . . . . 0.0 110.36 176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.1 mm-40 -58.8 -46.52 87.39 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 122.513 0.325 . . . . 0.0 110.553 178.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m -56.32 -38.77 71.76 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 122.958 0.503 . . . . 0.0 111.704 177.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.427 HD11 ' HB1' ' A' ' 10' ' ' ALA . 0.5 OUTLIER -71.27 -40.3 71.04 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.862 1.265 . . . . 0.0 110.872 -178.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 53.4 mttp -61.93 -45.28 94.4 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.171 0.588 . . . . 0.0 110.609 173.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -64.39 -44.51 91.1 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 123.667 0.787 . . . . 0.0 111.081 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -121.16 77.21 32.59 Favored Pre-proline 0 CA--C 1.533 0.327 0 C-N-CA 125.027 1.331 . . . . 0.0 109.649 -174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -66.54 -33.79 35.45 Favored 'Trans proline' 0 N--CA 1.457 -0.671 0 C-N-CA 123.165 2.577 . . . . 0.0 111.168 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.8 p -56.02 -40.22 73.09 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.272 1.029 . . . . 0.0 111.34 173.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -91.55 32.95 1.03 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.977 0.911 . . . . 0.0 111.56 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 51.1 p -57.86 -48.84 78.63 Favored 'General case' 0 C--N 1.341 0.226 0 C-N-CA 123.333 0.653 . . . . 0.0 110.934 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.15 -45.15 87.92 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.301 1.04 . . . . 0.0 111.541 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -61.73 -52.38 64.51 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.118 0.567 . . . . 0.0 110.496 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 62.3 t -58.51 -44.17 88.55 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 C-N-CA 123.55 0.74 . . . . 0.0 110.76 -179.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 34.1 mt -57.9 -43.88 86.43 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.395 0.678 . . . . 0.0 110.784 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.91 -57.41 18.26 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.071 -0.811 . . . . 0.0 111.071 175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.6 mm-40 -56.86 -44.19 81.91 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.889 0.876 . . . . 0.0 111.447 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.94 -48.74 80.47 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.533 0.733 . . . . 0.0 111.454 178.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -66.92 -39.25 87.3 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.326 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.5 mmtm -61.78 -47.93 82.96 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.372 0.533 . . . . 0.0 110.418 177.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 23.1 tp -62.42 -46.39 88.8 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 123.145 0.578 . . . . 0.0 110.393 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -55.32 -58.33 8.14 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.541 1.137 . . . . 0.0 110.234 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -55.16 -48.15 74.13 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.065 1.346 . . . . 0.0 111.789 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.0 p -60.46 -30.38 69.63 Favored 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 123.218 0.607 . . . . 0.0 112.11 -178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -88.99 52.37 2.39 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.03 125.98 89.15 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 123.197 0.599 . . . . 0.0 109.874 -178.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -70.88 -37.02 6.95 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 123.0 2.467 . . . . 0.0 111.208 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.191 -1.385 . . . . 0.0 108.947 178.547 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.551 0.204 . . . . 0.0 111.551 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -64.02 -39.12 93.38 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.012 0.525 . . . . 0.0 111.183 175.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 64.76 176.21 0.19 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.808 1.643 . . . . 0.0 112.699 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -156.29 -172.74 4.21 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 124.637 1.175 . . . . 0.0 110.512 -174.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -51.32 -45.76 62.38 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 125.558 1.543 . . . . 0.0 113.336 -178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.78 -45.42 82.5 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 123.244 0.618 . . . . 0.0 110.746 -178.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -59.49 -57.73 11.69 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.129 0.972 . . . . 0.0 110.096 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -62.95 -37.02 85.41 Favored 'General case' 0 C--N 1.341 0.239 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.42 -50.87 71.87 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.17 -44.26 95.17 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 119.431 -0.319 . . . . 0.0 111.209 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.7 m-30 -56.99 -52.45 65.22 Favored 'General case' 0 C--N 1.341 0.224 0 C-N-CA 122.996 0.518 . . . . 0.0 110.285 176.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -52.65 -51.55 59.65 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.591 1.157 . . . . 0.0 110.688 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 54.2 mm-40 -57.42 -51.29 70.01 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 123.318 0.647 . . . . 0.0 111.835 178.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 56.0 t -56.21 -40.59 66.16 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 C-N-CA 123.45 0.7 . . . . 0.0 111.245 178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.5 mt -68.35 -36.69 79.61 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 122.996 0.518 . . . . 0.0 111.567 176.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -64.64 -47.33 78.9 Favored 'General case' 0 C--N 1.341 0.198 0 CA-C-O 118.798 -0.62 . . . . 0.0 111.578 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 47.6 mtt -44.42 104.06 0.36 Allowed Pre-proline 0 CA--C 1.535 0.398 0 C-N-CA 125.85 1.66 . . . . 0.0 111.045 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -77.94 -23.19 9.53 Favored 'Trans proline' 0 N--CA 1.455 -0.754 0 C-N-CA 122.657 2.238 . . . . 0.0 113.877 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -89.05 -1.71 58.23 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 118.864 0.756 . . . . 0.0 112.135 -172.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 88.8 mt -77.34 149.29 35.28 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -91.88 176.03 6.67 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 169.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.49 -56.57 19.57 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 123.651 0.78 . . . . 0.0 111.238 -177.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.02 -45.79 68.13 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.04 0.936 . . . . 0.0 111.367 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -60.71 -61.97 2.2 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.102 0.961 . . . . 0.0 111.097 179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -60.82 -47.75 84.91 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 117.82 0.282 . . . . 0.0 110.973 -174.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -61.81 -42.31 98.86 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.0 0.52 . . . . 0.0 110.619 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.06 -50.85 53.65 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 174.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -59.18 -49.21 78.74 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.282 0.633 . . . . 0.0 111.531 177.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 25.8 mm -54.29 -55.07 16.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.256 0 CA-C-N 118.575 0.625 . . . . 0.0 110.506 178.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.2 mm-40 -59.76 -43.54 94.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 123.42 0.688 . . . . 0.0 111.579 -177.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.6 t -57.93 -45.39 86.65 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 123.311 0.645 . . . . 0.0 110.886 176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.5 tt -64.53 -49.18 72.28 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.807 0.843 . . . . 0.0 110.407 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -57.33 -42.96 82.93 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 123.269 0.628 . . . . 0.0 110.871 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.62 -43.46 98.81 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.187 0.995 . . . . 0.0 111.415 178.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -127.98 84.69 62.59 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 123.935 0.894 . . . . 0.0 109.812 179.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_exo -47.13 -37.85 23.94 Favored 'Trans proline' 0 C--N 1.348 0.504 1 C-N-CA 125.461 4.107 . . . . 0.0 115.14 -176.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 94.9 p -55.59 -24.06 30.7 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.089 0.956 . . . . 0.0 113.318 -177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.9 mm-40 -89.16 37.8 0.87 Allowed 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 123.57 0.748 . . . . 0.0 111.111 -174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 68.9 m -63.1 -61.13 2.58 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.213 0.605 . . . . 0.0 110.11 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.38 94.97 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 124.042 0.937 . . . . 0.0 111.503 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.82 -57.9 10.72 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.367 0.667 . . . . 0.0 110.413 -179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.8 t -58.02 -46.01 87.99 Favored 'Isoleucine or valine' 0 C--N 1.341 0.237 0 C-N-CA 123.164 0.586 . . . . 0.0 110.757 -179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -53.85 -52.53 60.12 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.321 0.648 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.99 -61.02 7.99 Favored Glycine 0 CA--C 1.526 0.781 0 C-N-CA 124.296 0.95 . . . . 0.0 112.137 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -62.49 -34.4 76.78 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 117.545 0.673 . . . . 0.0 112.073 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.03 -43.66 91.66 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 122.885 0.474 . . . . 0.0 110.814 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 25.0 tp60 -62.46 -40.43 96.61 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 122.813 0.445 . . . . 0.0 110.781 177.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -64.23 -44.68 91.13 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 122.932 0.493 . . . . 0.0 110.805 176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.5 tp -64.6 -43.42 93.85 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 117.969 0.35 . . . . 0.0 110.509 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -54.84 -55.98 24.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.449 0.7 . . . . 0.0 109.487 172.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -56.23 -46.35 79.58 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 124.201 1.0 . . . . 0.0 112.077 -176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.7 p -60.52 -30.77 69.95 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.253 0.621 . . . . 0.0 112.243 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -89.25 -25.74 21.56 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 124.299 1.04 . . . . 0.0 110.766 178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.4 159.51 85.19 Favored Pre-proline 0 CA--C 1.534 0.348 0 C-N-CA 125.22 1.408 . . . . 0.0 110.673 178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -63.55 -35.92 56.78 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 122.906 2.404 . . . . 0.0 111.586 171.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.4 pttt . . . . . 0 C--O 1.251 1.179 0 CA-C-O 117.849 -1.072 . . . . 0.0 111.521 175.598 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -79.22 66.53 4.69 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.681 0.792 . . . . 0.0 110.292 177.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.0 p80 45.24 39.48 4.22 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 126.491 1.916 . . . . 0.0 113.008 -177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -78.99 108.06 12.19 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 176.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -62.32 -48.12 81.24 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 177.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -84.8 38.88 0.72 Allowed 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.463 1.105 . . . . 0.0 112.013 -173.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -77.73 -53.36 7.62 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 123.011 0.525 . . . . 0.0 109.898 -177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.0 pm0 -55.89 -40.68 73.33 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 123.939 0.895 . . . . 0.0 110.863 171.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.5 t30 -61.04 -50.0 75.1 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.103 176.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.56 -45.59 69.95 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.393 0.542 . . . . 0.0 111.575 -178.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -60.29 -52.26 66.05 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 122.672 0.389 . . . . 0.0 110.811 174.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -53.11 -48.86 67.5 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 124.787 1.235 . . . . 0.0 111.833 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 84.3 mm-40 -57.15 -51.94 67.29 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 122.831 0.452 . . . . 0.0 110.294 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.9 t -59.23 -39.3 78.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 CA-C-N 118.123 0.42 . . . . 0.0 111.477 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.1 mt -61.53 -42.92 99.54 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 118.511 0.596 . . . . 0.0 111.137 173.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -75.01 -26.46 59.54 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 124.018 0.927 . . . . 0.0 113.147 -175.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 37.8 mtt -52.04 113.66 4.48 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 123.9 0.88 . . . . 0.0 110.035 177.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -76.15 -28.24 7.52 Favored 'Trans proline' 0 N--CA 1.457 -0.673 0 C-N-CA 123.428 2.752 . . . . 0.0 114.008 -168.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -89.08 -18.76 26.62 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 118.484 0.584 . . . . 0.0 111.845 -169.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 71.8 mt -67.03 139.97 57.66 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 118.25 0.477 . . . . 0.0 109.839 174.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -89.46 176.03 7.07 Favored 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 171.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.82 -52.46 63.92 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 123.778 0.831 . . . . 0.0 111.921 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.08 -49.52 71.47 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.2 0.6 . . . . 0.0 111.078 -179.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -60.05 -60.57 3.61 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.219 1.008 . . . . 0.0 111.076 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -62.24 -44.51 96.39 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 118.969 -0.539 . . . . 0.0 111.874 -173.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 61.8 m-80 -62.96 -46.06 89.51 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 118.633 0.651 . . . . 0.0 110.432 176.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.82 -52.12 31.32 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.325 -0.71 . . . . 0.0 111.325 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.65 -52.36 65.46 Favored 'General case' 0 C--O 1.223 -0.337 0 CA-C-O 118.362 -0.828 . . . . 0.0 111.014 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 61.4 mt -52.72 -47.76 50.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 119.274 0.943 . . . . 0.0 111.556 -178.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -59.42 -44.68 92.84 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.36 0.527 . . . . 0.0 110.951 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.8 m -61.31 -37.22 82.44 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 122.844 0.458 . . . . 0.0 111.379 175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.78 -49.23 69.07 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.751 1.62 . . . . 0.0 109.719 -178.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -59.99 -49.56 77.18 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 124.756 1.222 . . . . 0.0 110.405 176.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -62.0 -44.21 97.21 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 124.115 0.966 . . . . 0.0 111.574 -178.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -116.09 80.22 9.11 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 124.998 1.319 . . . . 0.0 109.554 -176.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.66 -31.1 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 122.656 2.237 . . . . 0.0 110.598 175.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.0 p -57.71 -21.28 39.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.15 1.38 . . . . 0.0 112.933 171.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -118.57 33.01 5.84 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.754 1.222 . . . . 0.0 110.714 178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 57.7 m -59.42 -53.85 53.39 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 118.335 0.516 . . . . 0.0 110.525 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.92 -42.15 97.55 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.076 0.95 . . . . 0.0 111.7 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -62.37 -54.9 33.67 Favored 'General case' 0 CA--C 1.531 0.247 0 C-N-CA 123.695 0.798 . . . . 0.0 110.768 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -58.08 -45.49 88.36 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.255 0 C-N-CA 124.107 0.963 . . . . 0.0 110.5 179.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 68.1 tp -57.83 -43.3 85.7 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.594 0.758 . . . . 0.0 110.74 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.49 -55.93 27.84 Favored Glycine 0 CA--C 1.528 0.85 0 C-N-CA 124.251 0.929 . . . . 0.0 111.795 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -64.75 -32.99 74.93 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 117.364 0.582 . . . . 0.0 111.836 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.02 90.66 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.142 0.428 . . . . 0.0 110.567 173.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -63.63 -45.74 88.9 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.289 0.635 . . . . 0.0 111.32 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 40.4 pttt -66.78 -34.65 78.29 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 118.405 0.548 . . . . 0.0 111.075 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.5 tp -65.07 -50.31 66.67 Favored 'General case' 0 C--N 1.344 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 175.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -51.16 -50.03 59.73 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 123.618 0.767 . . . . 0.0 110.604 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -58.51 -48.81 79.6 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 124.05 0.94 . . . . 0.0 111.346 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -63.79 -25.87 68.38 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.021 0.528 . . . . 0.0 112.189 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -88.61 52.81 2.52 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 176.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 124.88 91.5 Favored Pre-proline 0 CA--C 1.536 0.404 0 CA-C-O 118.477 -0.773 . . . . 0.0 109.616 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -50.45 -44.07 41.35 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.855 3.037 . . . . 0.0 113.017 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt . . . . . 0 C--O 1.252 1.202 0 CA-C-O 117.161 -1.399 . . . . 0.0 108.821 178.326 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 N-CA-C 111.578 0.214 . . . . 0.0 111.578 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -79.96 74.8 6.7 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.976 0.911 . . . . 0.0 108.99 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -80.39 71.04 7.18 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.352 1.061 . . . . 0.0 110.423 -174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.4 t0 61.56 71.35 0.55 Allowed 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 125.543 1.537 . . . . 0.0 110.699 179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.8 tm-20 -50.26 -39.9 46.38 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.974 1.31 . . . . 0.0 111.669 176.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.97 -40.93 97.3 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.899 0.479 . . . . 0.0 111.847 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 16.1 tp60 -62.07 -45.38 93.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 122.461 0.304 . . . . 0.0 110.438 177.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -57.3 -52.23 66.2 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-O 119.275 -0.393 . . . . 0.0 110.2 174.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 p30 -60.76 -36.0 77.84 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 123.134 0.271 . . . . 0.0 111.674 -175.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.95 -59.48 4.77 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.268 0.627 . . . . 0.0 110.337 178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -53.4 -49.16 67.85 Favored 'General case' 0 C--N 1.342 0.245 0 C-N-CA 122.77 0.428 . . . . 0.0 111.133 177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -58.3 -48.37 80.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.331 1.053 . . . . 0.0 111.387 -176.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -64.34 -45.84 86.06 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 119.232 -0.413 . . . . 0.0 110.963 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 59.2 t -54.94 -42.95 66.58 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 123.144 0.578 . . . . 0.0 110.972 177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -62.9 -56.56 16.13 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.686 0.395 . . . . 0.0 110.265 173.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -82.69 67.97 8.96 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.252 1.021 . . . . 0.0 110.44 -175.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 21.6 mtt -132.52 131.23 22.11 Favored Pre-proline 0 CA--C 1.535 0.378 0 C-N-CA 125.252 1.421 . . . . 0.0 108.068 172.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -73.46 -40.84 1.39 Allowed 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 123.346 2.697 . . . . 0.0 113.1 -169.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -89.34 -26.86 20.86 Favored 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 122.866 0.466 . . . . 0.0 111.322 -169.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.79 124.79 22.38 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -89.43 179.55 6.05 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 170.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.33 -48.63 62.33 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.592 1.157 . . . . 0.0 112.475 -176.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -56.6 -46.9 80.59 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 122.961 0.504 . . . . 0.0 111.147 -178.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.0 mm100 -64.67 -56.7 12.12 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.634 0.374 . . . . 0.0 110.318 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.5 ptp180 -59.58 -46.42 88.98 Favored 'General case' 0 C--N 1.341 0.211 0 CA-C-O 119.135 -0.46 . . . . 0.0 110.974 -175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -61.07 -42.69 98.97 Favored 'General case' 0 C--N 1.341 0.224 0 CA-C-N 118.255 0.479 . . . . 0.0 110.646 177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.37 -54.97 24.42 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.312 -0.715 . . . . 0.0 111.312 175.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -60.93 -45.2 95.63 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.366 0.666 . . . . 0.0 111.941 179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.1 mt -57.05 -49.84 78.21 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 C-N-CA 123.775 0.83 . . . . 0.0 110.429 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.4 mm100 -61.3 -44.74 96.72 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.02 0.528 . . . . 0.0 110.945 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 41.6 m -56.34 -38.97 72.08 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 122.742 0.417 . . . . 0.0 111.082 175.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -45.95 77.08 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 123.435 0.694 . . . . 0.0 110.348 177.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -58.33 -39.06 78.43 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.816 -0.553 . . . . 0.0 111.125 176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 65.0 m-20 -65.83 -47.14 76.02 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 123.212 0.605 . . . . 0.0 110.871 176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -118.4 81.95 18.29 Favored Pre-proline 0 CA--C 1.536 0.421 0 C-N-CA 124.965 1.306 . . . . 0.0 109.397 -179.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -68.21 -27.29 35.22 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 123.392 2.728 . . . . 0.0 112.668 -174.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 97.2 p -64.8 -45.07 87.84 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 122.686 0.394 . . . . 0.0 111.758 -177.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -89.77 53.95 2.71 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.088 0.555 . . . . 0.0 111.473 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 35.3 m -58.19 -45.73 87.05 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.909 0.884 . . . . 0.0 110.645 174.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.07 91.03 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.617 1.167 . . . . 0.0 111.809 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -62.13 -53.72 51.41 Favored 'General case' 0 C--N 1.34 0.179 0 C-N-CA 122.763 0.425 . . . . 0.0 110.167 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 77.2 t -56.73 -45.85 82.96 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.451 0.7 . . . . 0.0 110.719 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.6 tp -58.33 -46.38 86.31 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 123.654 0.782 . . . . 0.0 110.853 176.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.42 -51.47 58.53 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.987 0.803 . . . . 0.0 111.589 178.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -59.34 -42.91 92.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.454 1.102 . . . . 0.0 110.915 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.21 78.04 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.601 0.76 . . . . 0.0 111.186 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.07 -40.73 98.55 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.153 0.581 . . . . 0.0 111.043 178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -62.12 -47.24 85.47 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.554 0.742 . . . . 0.0 110.499 178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.1 tp -65.39 -41.68 93.43 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 122.786 0.434 . . . . 0.0 110.371 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -55.82 -53.46 56.48 Favored 'General case' 0 CA--C 1.53 0.174 0 C-N-CA 123.417 0.687 . . . . 0.0 109.997 174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -57.41 -47.6 81.3 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.484 1.114 . . . . 0.0 111.43 -179.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.9 p -61.49 -31.1 71.07 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 123.113 0.565 . . . . 0.0 111.885 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -88.71 56.13 3.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 108.834 -0.802 . . . . 0.0 108.834 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.27 124.76 91.39 Favored Pre-proline 0 CA--C 1.535 0.398 0 CA-C-O 118.46 -0.781 . . . . 0.0 109.451 178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.24 -47.19 27.05 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 123.75 2.966 . . . . 0.0 112.52 175.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm . . . . . 0 C--O 1.251 1.147 0 CA-C-O 117.26 -1.352 . . . . 0.0 109.5 177.816 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 111.394 0.146 . . . . 0.0 111.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.4 mp0 -53.38 -42.18 66.67 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 124.867 1.267 . . . . 0.0 112.559 -173.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -63.96 -35.04 79.39 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.982 0.513 . . . . 0.0 112.005 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -80.87 80.76 7.29 Favored 'General case' 0 C--N 1.34 0.18 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 174.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -48.94 -41.86 35.37 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 125.749 1.62 . . . . 0.0 112.793 -173.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.18 -48.29 76.5 Favored 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 123.375 0.67 . . . . 0.0 111.475 178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.438 HE22 HD22 ' A' ' 32' ' ' LEU . 15.9 tp60 -67.28 -52.25 42.9 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.565 0.746 . . . . 0.0 111.017 -174.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.8 -40.58 84.49 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-O 119.188 -0.434 . . . . 0.0 111.468 177.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -59.7 -49.45 77.69 Favored 'General case' 0 C--N 1.341 0.229 0 CA-C-O 119.029 -0.51 . . . . 0.0 110.393 174.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.33 -43.84 71.58 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 123.342 0.657 . . . . 0.0 111.653 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -57.71 -47.58 81.98 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 117.844 0.293 . . . . 0.0 110.657 173.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -59.62 -41.68 90.96 Favored 'General case' 0 C--N 1.341 0.196 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.571 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 71.3 mm-40 -53.66 -52.26 60.53 Favored 'General case' 0 C--N 1.342 0.239 0 CA-C-N 118.661 0.664 . . . . 0.0 109.985 176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 86.6 t -59.73 -38.55 76.42 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 C-N-CA 123.281 0.632 . . . . 0.0 111.462 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.8 -46.42 88.09 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.664 0.666 . . . . 0.0 111.304 173.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -64.7 -41.92 95.66 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.214 1.006 . . . . 0.0 112.617 -173.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.3 mtt -38.48 100.62 0.21 Allowed Pre-proline 0 CA--C 1.544 0.712 0 C-N-CA 126.16 1.784 . . . . 0.0 111.89 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.41 -35.11 83.71 Favored 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 124.654 3.569 . . . . 0.0 116.454 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.1 m-20 -88.85 -12.73 41.04 Favored 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -168.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 69.5 mt -76.94 138.09 39.47 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.583 0.629 . . . . 0.0 109.91 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 22.8 p30 -89.44 173.52 8.3 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 123.391 0.676 . . . . 0.0 109.496 172.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.61 -54.49 27.23 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 124.532 1.133 . . . . 0.0 111.843 -177.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.38 -49.08 75.5 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 123.632 0.773 . . . . 0.0 111.267 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -62.26 -57.66 10.6 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 123.939 0.896 . . . . 0.0 111.308 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -63.63 -46.63 84.81 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 122.383 0.273 . . . . 0.0 111.049 -173.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -61.67 -42.27 98.69 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 123.119 0.567 . . . . 0.0 110.199 176.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.12 -55.47 21.37 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.985 0.802 . . . . 0.0 111.171 175.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -63.09 -40.63 98.21 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 118.776 -0.631 . . . . 0.0 111.914 178.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 53.6 mt -57.4 -47.1 85.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 119.343 0.974 . . . . 0.0 110.533 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.1 mm-40 -65.35 -40.97 94.29 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 122.996 0.518 . . . . 0.0 111.488 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.5 m -60.44 -44.48 95.76 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.173 0.442 . . . . 0.0 110.932 177.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 HE22 ' A' ' 7' ' ' GLN . 1.4 tt -64.76 -48.62 73.86 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.657 1.183 . . . . 0.0 109.258 178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -54.75 -44.11 73.33 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 123.989 0.916 . . . . 0.0 110.874 178.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -67.13 -44.16 80.57 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.031 0.932 . . . . 0.0 111.348 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -115.32 76.43 5.02 Favored Pre-proline 0 CA--C 1.533 0.316 0 C-N-CA 125.172 1.389 . . . . 0.0 109.81 -177.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -63.18 -30.18 74.54 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.041 2.494 . . . . 0.0 111.449 -179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 63.9 p -53.9 -39.94 66.2 Favored 'General case' 0 CA--C 1.535 0.365 0 C-N-CA 124.07 0.948 . . . . 0.0 111.607 171.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -89.92 40.88 1.02 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.271 1.028 . . . . 0.0 111.079 -178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -63.92 -57.24 10.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.036 0.534 . . . . 0.0 110.568 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.62 -42.94 93.82 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.104 0.962 . . . . 0.0 111.188 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -60.32 -59.37 5.52 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.472 0.709 . . . . 0.0 110.762 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.86 -38.55 83.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 C-N-CA 122.897 0.479 . . . . 0.0 111.426 -175.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.3 tp -60.16 -40.57 90.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 118.132 0.424 . . . . 0.0 110.029 172.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.64 -48.45 85.97 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.471 1.034 . . . . 0.0 111.702 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -56.17 -48.36 76.48 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.843 0.857 . . . . 0.0 110.329 177.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.62 -48.27 81.56 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.562 0.745 . . . . 0.0 111.586 177.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 21.9 tp60 -63.08 -45.54 91.64 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.314 0.646 . . . . 0.0 111.457 -178.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.4 mtmp? -67.71 -39.4 84.34 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 122.971 0.508 . . . . 0.0 111.081 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 28.8 tp -62.98 -47.05 84.85 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 176.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -56.02 -50.51 70.7 Favored 'General case' 0 CA--C 1.529 0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 110.866 176.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -59.51 -50.75 72.69 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.306 1.042 . . . . 0.0 111.144 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.3 p -61.48 -31.22 71.19 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 123.154 0.581 . . . . 0.0 111.93 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -89.38 10.11 23.71 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.809 0.843 . . . . 0.0 112.196 178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.9 128.27 90.89 Favored Pre-proline 0 CA--C 1.534 0.331 0 CA-C-N 119.097 0.862 . . . . 0.0 109.722 176.021 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -82.09 -161.04 0.14 Allowed 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 123.631 2.888 . . . . 0.0 109.322 178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.6 mttm . . . . . 0 C--O 1.25 1.101 0 CA-C-O 117.174 -1.393 . . . . 0.0 109.899 178.764 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 54.38 38.86 30.33 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.243 1.417 . . . . 0.0 111.72 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.4 t60 45.7 46.27 11.46 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 126.065 1.746 . . . . 0.0 112.991 -175.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -73.3 -177.27 2.5 Favored 'General case' 0 CA--C 1.533 0.327 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 169.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -58.5 -38.27 77.31 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 178.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.06 -49.19 62.87 Favored 'General case' 0 C--N 1.341 0.218 0 C-N-CA 123.031 0.532 . . . . 0.0 111.073 179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -61.98 -44.85 95.88 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.007 0.923 . . . . 0.0 110.793 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -54.96 -52.54 62.73 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.723 1.209 . . . . 0.0 109.779 174.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 54.7 t30 -59.19 -40.34 85.4 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.559 0.744 . . . . 0.0 111.198 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.26 -56.89 16.05 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.161 0.437 . . . . 0.0 110.57 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -54.09 -47.52 71.67 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 122.887 0.475 . . . . 0.0 111.168 176.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -56.99 -48.11 79.21 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.726 1.211 . . . . 0.0 111.231 -178.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -61.77 -48.61 79.88 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.944 0.498 . . . . 0.0 110.596 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.0 t -55.2 -41.94 63.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 C-N-CA 123.053 0.541 . . . . 0.0 111.205 178.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.6 mt -62.16 -53.8 50.12 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.004 0.522 . . . . 0.0 110.627 174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 m-80 -82.85 67.42 8.91 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.142 0.977 . . . . 0.0 110.75 -175.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 32.2 mtt -138.39 94.49 10.75 Favored Pre-proline 0 CA--C 1.534 0.334 0 C-N-CA 125.395 1.478 . . . . 0.0 108.927 177.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_exo -49.62 -33.13 30.27 Favored 'Trans proline' 0 N--CA 1.459 -0.511 0 C-N-CA 125.098 3.865 . . . . 0.0 115.571 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -88.88 -10.26 48.59 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.343 0.52 . . . . 0.0 111.676 -172.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 51.4 mt -93.43 123.69 36.9 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -89.24 -179.27 5.84 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.24 -54.92 7.94 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.943 1.297 . . . . 0.0 113.196 -175.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -60.9 -40.63 93.85 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 119.166 0.894 . . . . 0.0 111.915 -175.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -66.31 -58.22 5.8 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.691 0.797 . . . . 0.0 110.196 -178.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 7.4 ppt_? -64.19 -45.11 89.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.241 0.616 . . . . 0.0 111.753 -175.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -63.48 -40.48 97.22 Favored 'General case' 0 C--N 1.341 0.238 0 CA-C-N 118.734 0.697 . . . . 0.0 110.723 176.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.93 -54.02 24.21 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -61.08 -48.13 83.12 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.947 -0.549 . . . . 0.0 112.034 177.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.9 mt -55.07 -48.09 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 118.626 0.648 . . . . 0.0 110.649 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.6 mm-40 -63.73 -45.79 88.34 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.171 0.588 . . . . 0.0 111.143 179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -55.21 -45.35 75.89 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.172 0.442 . . . . 0.0 110.995 177.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.0 -48.11 77.69 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.902 0.881 . . . . 0.0 110.034 178.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -54.93 -41.68 71.31 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.373 1.069 . . . . 0.0 111.07 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -62.92 -38.3 90.44 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 123.599 0.759 . . . . 0.0 111.674 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -135.82 84.31 32.69 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.61 0.764 . . . . 0.0 109.971 179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -49.66 -33.2 30.82 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 125.262 3.975 . . . . 0.0 115.159 -176.241 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -58.33 -23.36 56.42 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 112.955 0.724 . . . . 0.0 112.955 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -89.07 38.91 0.91 Allowed 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 123.892 0.877 . . . . 0.0 110.794 -175.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 67.6 m -63.79 -59.39 4.61 Favored 'General case' 0 C--N 1.34 0.169 0 C-N-CA 123.446 0.698 . . . . 0.0 110.102 177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -40.12 90.65 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.954 0.902 . . . . 0.0 111.576 179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -61.48 -59.88 4.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.821 0.848 . . . . 0.0 110.637 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.44 -41.63 85.15 Favored 'Isoleucine or valine' 0 C--N 1.339 0.135 0 C-N-CA 122.949 0.5 . . . . 0.0 110.519 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 61.0 tp -55.31 -49.8 71.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.756 0.422 . . . . 0.0 110.164 175.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.1 -50.91 53.55 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 123.784 0.707 . . . . 0.0 111.805 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -60.67 -39.94 90.26 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.114 0.566 . . . . 0.0 111.619 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.39 -46.2 67.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.593 0.757 . . . . 0.0 111.596 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -53.37 -49.64 66.77 Favored 'General case' 0 C--N 1.34 0.153 0 C-N-CA 124.213 1.005 . . . . 0.0 109.681 173.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.01 -50.88 71.59 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.443 0.697 . . . . 0.0 111.182 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 tp -63.18 -37.96 89.27 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.466 0.707 . . . . 0.0 111.321 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -66.14 -53.32 39.11 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.655 0.782 . . . . 0.0 110.156 175.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -58.82 -47.74 83.73 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 125.01 1.324 . . . . 0.0 111.864 -175.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.8 p -57.25 -38.06 73.25 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 123.429 0.692 . . . . 0.0 111.324 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -97.36 30.46 2.83 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.257 1.023 . . . . 0.0 111.505 -179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.11 124.88 84.43 Favored Pre-proline 0 CA--C 1.534 0.34 0 CA-C-O 118.472 -0.775 . . . . 0.0 109.351 173.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_exo -48.99 -48.04 19.54 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 123.771 2.981 . . . . 0.0 112.644 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? . . . . . 0 C--O 1.251 1.151 0 CA-C-O 117.148 -1.406 . . . . 0.0 108.082 174.191 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.59 0.218 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.6 tp60 51.49 75.54 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 125.662 1.585 . . . . 0.0 111.492 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -159.02 136.56 10.08 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.752 0.821 . . . . 0.0 109.599 -179.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -86.4 76.54 9.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.921 0.889 . . . . 0.0 109.772 -175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -53.66 -35.28 60.85 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 124.281 1.032 . . . . 0.0 112.147 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -48.66 -36.9 16.97 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.117 1.367 . . . . 0.0 112.716 175.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.3 tp60 -64.73 -55.4 20.14 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 122.872 0.469 . . . . 0.0 111.479 -174.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 pm0 -69.57 -33.54 72.88 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-O 119.526 -0.273 . . . . 0.0 111.292 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -60.41 -37.98 82.58 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.126 0.57 . . . . 0.0 111.051 175.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.11 78.45 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 123.067 0.547 . . . . 0.0 110.761 177.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -58.7 -47.62 83.9 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 122.438 0.295 . . . . 0.0 110.32 175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -58.05 -43.42 86.85 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.445 1.098 . . . . 0.0 111.759 -176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -56.44 -47.23 79.55 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.959 0.504 . . . . 0.0 111.195 175.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.6 t -61.44 -38.99 81.31 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 119.249 -0.405 . . . . 0.0 111.038 177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.23 -37.77 88.68 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 118.518 0.599 . . . . 0.0 111.67 173.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 82.5 m-20 -64.34 -45.34 88.26 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.292 0.637 . . . . 0.0 111.603 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.6 mtt -48.45 106.11 0.57 Allowed Pre-proline 0 CA--C 1.537 0.456 0 C-N-CA 125.34 1.456 . . . . 0.0 110.39 -179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -77.75 -25.64 7.63 Favored 'Trans proline' 0 N--CA 1.456 -0.731 0 C-N-CA 122.913 2.409 . . . . 0.0 114.373 -168.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 -88.78 -1.81 58.27 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.888 0.767 . . . . 0.0 112.165 -170.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 85.7 mt -76.02 147.64 38.61 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 170.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.1 p30 -90.0 176.29 6.85 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 169.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.34 -55.99 26.57 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.63 0.772 . . . . 0.0 111.609 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.76 -45.36 70.6 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 123.714 0.805 . . . . 0.0 111.439 -178.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -61.61 -60.9 2.99 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.933 0.893 . . . . 0.0 111.085 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -60.91 -45.79 93.22 Favored 'General case' 0 C--N 1.342 0.248 0 CA-C-N 117.91 0.323 . . . . 0.0 111.367 -174.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -63.0 -45.62 91.53 Favored 'General case' 0 C--N 1.34 0.182 0 CA-C-O 119.376 -0.345 . . . . 0.0 110.426 177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.13 -52.32 36.49 Favored Glycine 0 CA--C 1.529 0.915 0 C-N-CA 123.772 0.701 . . . . 0.0 111.403 177.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -58.28 -49.16 78.12 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 118.851 -0.595 . . . . 0.0 111.204 176.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.5 mt -55.7 -48.33 78.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.754 0.706 . . . . 0.0 111.154 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 77.0 mm-40 -60.29 -45.82 92.01 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.187 0.449 . . . . 0.0 110.664 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.5 m -57.43 -36.1 70.95 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 122.758 0.423 . . . . 0.0 111.396 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.44 -45.76 75.1 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.893 1.277 . . . . 0.0 110.227 178.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -59.3 -44.43 92.53 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.471 0.708 . . . . 0.0 110.819 175.183 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -64.59 -46.92 80.66 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 123.64 0.776 . . . . 0.0 110.887 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -122.17 78.59 43.29 Favored Pre-proline 0 CA--C 1.533 0.299 0 C-N-CA 125.022 1.329 . . . . 0.0 109.52 -175.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -66.84 -28.2 43.14 Favored 'Trans proline' 0 N--CA 1.457 -0.666 0 C-N-CA 122.941 2.428 . . . . 0.0 110.754 176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.4 p -53.69 -41.24 66.7 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 124.32 1.048 . . . . 0.0 110.845 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -90.59 31.14 1.06 Allowed 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.294 1.038 . . . . 0.0 111.778 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.0 t -57.04 -53.39 58.61 Favored 'General case' 0 C--N 1.341 0.236 0 CA-C-N 118.697 0.681 . . . . 0.0 110.317 175.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.38 -45.41 80.56 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.055 0.942 . . . . 0.0 111.812 179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -61.35 -54.19 47.04 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.43 0.692 . . . . 0.0 110.45 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.5 t -56.86 -45.47 83.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 C-N-CA 123.946 0.898 . . . . 0.0 110.949 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 50.7 mt -59.04 -44.12 91.74 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.264 0.625 . . . . 0.0 110.896 175.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.9 -55.06 32.6 Favored Glycine 0 CA--C 1.528 0.861 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -56.37 -45.71 80.4 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 124.579 1.152 . . . . 0.0 111.057 179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.73 92.37 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.648 0.779 . . . . 0.0 111.295 179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -63.74 -41.91 97.96 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 123.269 0.628 . . . . 0.0 110.897 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -62.34 -46.8 87.05 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 123.715 0.806 . . . . 0.0 110.667 177.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 9.1 tp -65.26 -43.44 91.26 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 122.634 0.374 . . . . 0.0 110.466 -179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -55.85 -51.95 65.72 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.717 0.807 . . . . 0.0 110.202 173.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -58.6 -47.55 83.95 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 124.068 0.947 . . . . 0.0 111.526 -177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -61.57 -30.22 70.52 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.2 0.6 . . . . 0.0 112.126 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -89.22 -20.57 24.01 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.036 0.935 . . . . 0.0 111.287 178.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.62 165.2 38.13 Favored Pre-proline 0 CA--C 1.535 0.391 0 C-N-CA 123.632 0.773 . . . . 0.0 110.165 174.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -66.35 177.63 3.1 Favored 'Trans proline' 0 N--CA 1.452 -0.935 0 C-N-CA 122.919 2.412 . . . . 0.0 110.939 172.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.251 1.149 0 C-N-CA 125.268 1.427 . . . . 0.0 109.13 -177.064 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.713 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.06 163.33 34.01 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 124.113 0.965 . . . . 0.0 108.993 172.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -60.4 -53.75 53.87 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 124.158 0.983 . . . . 0.0 110.369 177.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -88.27 -174.27 4.56 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 124.157 0.983 . . . . 0.0 109.974 174.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -90.15 41.02 1.03 Allowed 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.226 1.01 . . . . 0.0 110.454 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.15 -33.54 72.31 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 124.416 1.086 . . . . 0.0 111.196 174.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 21.4 mm-40 -58.76 -47.76 83.54 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 122.977 0.511 . . . . 0.0 109.755 174.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -90.55 32.61 0.95 Allowed 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.625 1.17 . . . . 0.0 111.511 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -39.78 -51.7 2.36 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 125.899 1.68 . . . . 0.0 114.719 -172.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.18 -53.26 59.79 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.446 0.566 . . . . 0.0 111.305 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -59.18 -49.3 78.39 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.055 0.942 . . . . 0.0 110.582 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -54.41 -43.27 71.34 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.677 1.591 . . . . 0.0 111.171 -179.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 21.7 mm100 -62.01 -38.85 90.21 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.995 176.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.8 t -59.89 -37.3 71.39 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 CA-C-N 118.684 0.675 . . . . 0.0 110.909 173.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.71 -38.71 83.98 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 118.727 0.694 . . . . 0.0 111.046 172.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.2 m-20 -79.69 46.35 0.76 Allowed 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 124.218 1.007 . . . . 0.0 112.021 -175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 53.8 mtm -143.92 85.63 8.98 Favored Pre-proline 0 CA--C 1.533 0.289 0 C-N-CA 124.735 1.214 . . . . 0.0 107.883 178.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 86.8 Cg_endo -75.68 4.12 5.37 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 124.046 3.164 . . . . 0.0 114.079 -169.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -88.69 -24.58 22.69 Favored 'General case' 0 C--N 1.34 0.17 0 CA-C-N 118.777 0.717 . . . . 0.0 109.635 175.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 73.4 mt -68.74 148.88 49.7 Favored 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 21.0 p30 -91.27 177.6 6.2 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -56.93 15.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.512 0.725 . . . . 0.0 111.211 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -54.34 -45.0 72.58 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.09 0.956 . . . . 0.0 111.481 -177.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.86 -59.15 5.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.148 0.979 . . . . 0.0 111.032 179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.9 ptp180 -62.25 -40.12 95.13 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-O 119.419 -0.324 . . . . 0.0 111.221 -176.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -59.37 -45.72 90.66 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.777 0.831 . . . . 0.0 110.623 175.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.33 -51.43 51.25 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 176.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -61.41 -45.56 93.81 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 118.717 -0.659 . . . . 0.0 111.647 178.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.7 mt -54.07 -50.22 55.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 C-N-CA 124.007 0.923 . . . . 0.0 110.291 177.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.4 mm-40 -61.76 -44.08 97.6 Favored 'General case' 0 C--O 1.226 -0.182 0 C-N-CA 122.901 0.48 . . . . 0.0 111.145 179.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 34.4 m -57.48 -43.76 84.36 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 118.395 0.543 . . . . 0.0 111.053 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.64 -49.11 78.83 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 125.137 1.375 . . . . 0.0 110.109 178.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -58.57 -48.91 79.34 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.88 1.272 . . . . 0.0 110.733 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -66.17 -39.58 89.86 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.384 1.073 . . . . 0.0 111.329 -177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -131.85 82.13 60.98 Favored Pre-proline 0 CA--C 1.537 0.465 0 C-N-CA 123.861 0.864 . . . . 0.0 110.352 -176.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_exo -56.71 -38.17 96.23 Favored 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 124.267 3.311 . . . . 0.0 113.363 176.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 p -60.4 -35.27 75.36 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 123.023 0.529 . . . . 0.0 111.793 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -89.9 28.24 1.4 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.532 0.733 . . . . 0.0 111.783 174.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.0 p -55.65 -48.11 75.54 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.566 0.621 . . . . 0.0 110.551 172.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.37 -46.9 79.82 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 124.3 1.04 . . . . 0.0 111.707 178.093 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -62.78 -51.85 65.47 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 123.2 0.6 . . . . 0.0 110.231 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.7 t -53.74 -47.56 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.442 1.097 . . . . 0.0 110.827 178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 41.6 mt -59.17 -46.15 89.16 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 123.508 0.723 . . . . 0.0 110.885 176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.86 -52.92 48.01 Favored Glycine 0 CA--C 1.529 0.934 0 C-N-CA 123.596 0.617 . . . . 0.0 111.662 178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.15 -43.61 92.07 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 124.688 1.195 . . . . 0.0 110.892 178.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.42 -42.56 98.73 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 123.5 0.72 . . . . 0.0 111.462 178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -42.49 88.4 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 122.967 0.507 . . . . 0.0 110.294 177.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.8 tmmm? -56.04 -51.1 69.01 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.34 0.656 . . . . 0.0 109.894 175.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 5.7 tp -64.82 -42.39 95.0 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.975 0.51 . . . . 0.0 111.147 -177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -55.84 -56.27 22.52 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 124.709 1.204 . . . . 0.0 110.493 174.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -59.95 -50.24 74.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.96 1.304 . . . . 0.0 111.419 -176.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.3 p -59.89 -31.98 70.31 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 123.477 0.711 . . . . 0.0 112.076 -179.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -88.81 56.13 3.63 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.32 121.91 79.02 Favored Pre-proline 0 CA--C 1.535 0.403 0 CA-C-O 118.407 -0.806 . . . . 0.0 109.778 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_exo -50.04 -50.38 13.51 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 123.901 3.067 . . . . 0.0 112.605 177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.093 0 CA-C-O 117.178 -1.392 . . . . 0.0 108.238 172.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -73.78 88.85 1.78 Allowed 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.89 0.876 . . . . 0.0 109.497 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -158.27 147.24 19.16 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.861 1.264 . . . . 0.0 108.946 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 38.3 t70 54.78 52.8 11.46 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.063 0.945 . . . . 0.0 109.851 -174.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.13 -23.86 24.71 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 124.721 1.208 . . . . 0.0 111.946 -174.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.03 36.15 0.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 124.489 1.116 . . . . 0.0 113.084 -171.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -72.76 -43.14 63.23 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -54.55 -55.41 29.5 Favored 'General case' 0 C--N 1.342 0.276 0 C-N-CA 124.168 0.987 . . . . 0.0 109.829 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -53.24 -50.34 64.96 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.297 1.039 . . . . 0.0 110.769 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.12 -61.15 2.77 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.969 0.507 . . . . 0.0 111.286 179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -52.59 -51.72 58.55 Favored 'General case' 0 C--N 1.341 0.212 0 C-N-CA 123.075 0.55 . . . . 0.0 111.48 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -57.76 -54.75 43.38 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 125.249 1.42 . . . . 0.0 110.7 -175.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -61.94 -43.0 99.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.968 0.507 . . . . 0.0 111.292 -179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.4 t -56.98 -43.0 80.08 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.68 0.792 . . . . 0.0 111.147 175.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 59.6 mt -69.26 -27.13 65.16 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 122.912 0.485 . . . . 0.0 112.041 176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -82.22 -71.04 0.5 Allowed 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 118.635 0.652 . . . . 0.0 111.249 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 65.1 mtm -26.05 93.31 0.05 OUTLIER Pre-proline 0 CA--C 1.54 0.575 0 C-N-CA 128.929 2.892 . . . . 0.0 114.235 -171.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -47.96 -34.32 22.4 Favored 'Trans proline' 0 C--N 1.349 0.56 1 C-N-CA 125.808 4.338 . . . . 0.0 117.203 -169.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -88.57 -4.85 58.49 Favored 'General case' 0 C--N 1.339 0.148 0 CA-C-N 118.696 0.68 . . . . 0.0 112.423 -169.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 94.5 mt -73.96 133.67 43.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 169.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.36 155.69 19.19 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 107.842 -1.17 . . . . 0.0 107.842 169.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.35 -47.46 13.35 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 124.875 1.27 . . . . 0.0 113.265 -169.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -52.21 -44.45 64.78 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 124.532 1.133 . . . . 0.0 111.632 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -64.94 -52.21 57.61 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 123.144 0.578 . . . . 0.0 109.738 -179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 59.8 mtt-85 -56.79 -54.57 44.83 Favored 'General case' 0 C--N 1.341 0.235 0 C-N-CA 123.301 0.64 . . . . 0.0 110.166 -176.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -54.26 -45.98 72.52 Favored 'General case' 0 CA--C 1.528 0.128 0 C-N-CA 123.729 0.812 . . . . 0.0 110.759 176.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -50.92 -57.29 11.24 Favored Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -58.73 -45.83 88.77 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.76 0.824 . . . . 0.0 111.848 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.2 mt -58.14 -49.46 81.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 123.74 0.816 . . . . 0.0 110.593 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 mm-40 -62.69 -49.11 76.41 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 122.992 0.517 . . . . 0.0 110.763 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 60.8 m -53.64 -42.19 67.56 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 123.398 0.679 . . . . 0.0 111.447 177.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.37 -53.22 55.88 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.465 0.706 . . . . 0.0 110.112 177.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -53.28 -41.53 65.64 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.286 0.494 . . . . 0.0 111.732 178.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -65.25 -47.59 76.2 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 123.36 0.664 . . . . 0.0 110.939 177.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -127.91 80.87 71.4 Favored Pre-proline 0 CA--C 1.535 0.395 0 C-N-CA 124.874 1.269 . . . . 0.0 109.405 -173.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -64.46 -35.17 50.69 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 123.316 2.678 . . . . 0.0 112.674 -171.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 81.2 p -53.04 -27.35 19.27 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.44 1.096 . . . . 0.0 112.717 175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 51.8 mm-40 -89.44 9.12 27.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.961 0.905 . . . . 0.0 112.256 -175.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 44.3 t -48.78 -45.44 39.99 Favored 'General case' 0 C--N 1.342 0.275 0 C-N-CA 124.478 1.111 . . . . 0.0 112.368 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.6 -55.28 36.94 Favored 'General case' 0 CA--C 1.532 0.25 0 C-N-CA 123.783 0.833 . . . . 0.0 111.732 -178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -68.8 -36.61 78.47 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-O 119.068 -0.491 . . . . 0.0 111.504 -178.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.07 -46.18 88.16 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.548 0.739 . . . . 0.0 110.459 174.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.78 -51.27 70.26 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.956 0.902 . . . . 0.0 109.279 175.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.35 -53.64 30.64 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 123.913 0.768 . . . . 0.0 112.243 177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -55.26 -48.95 73.26 Favored 'General case' 0 C--N 1.338 0.097 0 C-N-CA 124.892 1.277 . . . . 0.0 110.724 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.38 -39.93 89.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 123.362 0.665 . . . . 0.0 111.784 179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -66.48 -45.14 80.65 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.001 0.52 . . . . 0.0 111.112 178.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -61.97 -40.88 97.11 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 123.006 0.522 . . . . 0.0 110.821 175.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.7 tp -65.03 -49.39 70.35 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -52.79 -47.88 67.24 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.406 0.682 . . . . 0.0 110.4 174.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -60.0 -45.56 92.34 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.377 0.671 . . . . 0.0 111.641 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.5 p -67.67 -27.61 67.0 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 122.942 0.497 . . . . 0.0 112.331 179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -88.7 -22.86 23.16 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.068 0.947 . . . . 0.0 110.616 179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.3 163.03 61.75 Favored Pre-proline 0 CA--C 1.536 0.418 0 C-N-CA 124.323 1.049 . . . . 0.0 109.633 171.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 80.4 Cg_exo -49.36 -34.87 33.72 Favored 'Trans proline' 0 N--CA 1.459 -0.517 0 C-N-CA 123.727 2.951 . . . . 0.0 113.661 174.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.3 pttm . . . . . 0 C--O 1.251 1.183 0 CA-C-O 117.628 -1.177 . . . . 0.0 110.155 177.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 55.04 52.13 12.32 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 124.943 1.297 . . . . 0.0 110.951 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -160.12 145.18 14.94 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.305 1.042 . . . . 0.0 109.332 -178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -156.13 109.45 2.69 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 170.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -56.42 -38.59 71.77 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 123.858 0.863 . . . . 0.0 112.731 -172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.11 -52.98 60.44 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 118.285 0.493 . . . . 0.0 111.219 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -64.02 -43.89 94.24 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.706 0.803 . . . . 0.0 110.81 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 23.1 tt0 -53.69 -52.03 61.34 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.634 1.174 . . . . 0.0 109.919 175.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -60.09 -43.61 95.42 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.459 1.104 . . . . 0.0 110.981 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.03 63.02 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 117.978 0.354 . . . . 0.0 111.151 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -58.73 -46.96 86.2 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 118.015 0.37 . . . . 0.0 111.043 176.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -54.49 -49.21 70.68 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.74 1.216 . . . . 0.0 111.049 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -52.75 -54.36 35.03 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.265 0.626 . . . . 0.0 110.277 176.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.5 t -57.63 -40.5 75.58 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 C-N-CA 123.034 0.534 . . . . 0.0 111.515 -177.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.72 -45.23 93.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 118.173 0.442 . . . . 0.0 111.195 174.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.56 -40.23 80.69 Favored 'General case' 0 CA--C 1.532 0.265 0 CA-C-O 118.303 -0.856 . . . . 0.0 112.702 -174.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 25.5 mtt -40.14 101.92 0.25 Allowed Pre-proline 0 CA--C 1.54 0.584 0 C-N-CA 126.485 1.914 . . . . 0.0 112.381 -178.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -57.5 -33.73 96.9 Favored 'Trans proline' 0 C--N 1.348 0.532 0 C-N-CA 124.054 3.17 . . . . 0.0 115.307 -171.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -89.1 -10.17 48.35 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -169.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 65.4 mt -78.69 137.84 37.99 Favored 'General case' 0 C--N 1.342 0.24 0 CA-C-N 118.801 0.728 . . . . 0.0 109.94 174.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 p30 -89.24 173.99 8.09 Favored 'General case' 0 CA--C 1.53 0.203 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 171.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.08 -54.04 41.44 Favored 'General case' 0 CA--C 1.528 0.125 0 C-N-CA 124.224 1.01 . . . . 0.0 112.108 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -54.58 -47.42 73.34 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.604 0.762 . . . . 0.0 110.991 -177.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -63.05 -60.24 3.71 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.122 0.969 . . . . 0.0 111.19 -178.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -63.3 -47.24 83.09 Favored 'General case' 0 CA--C 1.529 0.154 0 CA-C-O 119.339 -0.363 . . . . 0.0 111.915 -172.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -63.14 -39.98 96.24 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 118.202 0.455 . . . . 0.0 110.525 176.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.54 -53.75 33.87 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 175.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -62.75 -44.69 95.53 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-O 118.89 -0.576 . . . . 0.0 111.373 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 56.3 mt -55.97 -48.98 77.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.25 0 CA-C-N 119.067 0.848 . . . . 0.0 110.558 179.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -63.48 -45.4 90.94 Favored 'General case' 0 CA--C 1.53 0.175 0 C-N-CA 122.796 0.438 . . . . 0.0 111.174 178.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.4 t -55.92 -46.57 78.41 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.173 0.589 . . . . 0.0 111.086 177.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.15 -49.08 75.76 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 124.886 1.274 . . . . 0.0 109.713 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -54.45 -44.6 72.65 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 124.153 0.981 . . . . 0.0 111.045 178.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -67.98 -43.5 78.8 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.874 0.87 . . . . 0.0 111.102 178.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -116.7 77.6 8.38 Favored Pre-proline 0 CA--C 1.532 0.28 0 C-N-CA 125.02 1.328 . . . . 0.0 109.784 -176.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -64.55 -25.95 62.26 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 123.047 2.498 . . . . 0.0 111.508 179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.9 p -54.47 -40.52 68.54 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.066 0.946 . . . . 0.0 111.05 169.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -90.33 37.53 0.9 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.557 1.143 . . . . 0.0 111.217 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 43.6 t -62.87 -60.35 3.6 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.361 0.528 . . . . 0.0 110.348 179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.83 -40.71 85.0 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 123.874 0.869 . . . . 0.0 111.39 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -60.66 -60.07 4.39 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.643 0.777 . . . . 0.0 110.892 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 78.1 t -62.71 -38.46 81.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 122.932 0.493 . . . . 0.0 110.99 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 56.5 tp -59.5 -44.24 93.15 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 173.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.26 -48.12 82.64 Favored Glycine 0 CA--C 1.53 1.001 0 C-N-CA 124.218 0.913 . . . . 0.0 111.875 175.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -56.9 -45.94 82.26 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 123.672 0.789 . . . . 0.0 110.585 176.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.28 75.71 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 123.483 0.713 . . . . 0.0 111.62 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -54.43 -48.4 71.71 Favored 'General case' 0 C--N 1.341 0.222 0 C-N-CA 123.94 0.896 . . . . 0.0 110.451 176.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.35 -47.79 82.67 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.8 . . . . 0.0 110.812 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.5 tp -65.43 -38.92 91.33 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 122.451 0.301 . . . . 0.0 110.981 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -60.63 -50.2 74.47 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 123.123 0.569 . . . . 0.0 110.208 173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.46 -49.16 77.18 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 124.194 0.998 . . . . 0.0 111.38 -179.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.9 p -61.99 -31.39 71.75 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 122.869 0.468 . . . . 0.0 112.039 179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -89.5 8.65 29.98 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.525 0.73 . . . . 0.0 112.194 178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.73 127.44 93.16 Favored Pre-proline 0 CA--C 1.535 0.369 0 CA-C-N 119.083 0.856 . . . . 0.0 109.771 175.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.52 99.7 0.05 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.872 0 C-N-CA 124.622 3.548 . . . . 0.0 112.131 173.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp . . . . . 0 C--O 1.251 1.152 0 C-N-CA 126.006 1.722 . . . . 0.0 109.956 -177.872 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 111.533 0.197 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 66.4 -72.15 0.08 Allowed 'General case' 0 C--N 1.342 0.251 0 C-N-CA 126.94 2.096 . . . . 0.0 111.818 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -128.99 -21.84 3.26 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 125.868 1.667 . . . . 0.0 111.205 -177.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -83.36 46.64 1.16 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.618 1.167 . . . . 0.0 111.674 -172.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -82.89 -44.8 14.98 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 123.986 0.914 . . . . 0.0 109.37 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.9 -37.91 86.38 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.861 0.464 . . . . 0.0 110.609 170.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -76.44 -45.76 30.01 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.215 0.606 . . . . 0.0 111.881 -173.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -59.61 -39.6 84.76 Favored 'General case' 0 C--N 1.344 0.327 0 CA-C-N 118.734 0.697 . . . . 0.0 110.037 174.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -60.8 -46.84 88.93 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 119.028 -0.51 . . . . 0.0 110.221 174.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.21 -47.4 75.35 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.562 0.619 . . . . 0.0 111.442 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -58.46 -48.08 81.91 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.523 0.329 . . . . 0.0 110.68 173.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -58.18 -40.82 82.48 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.349 1.06 . . . . 0.0 112.154 -178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.5 mm100 -59.56 -46.17 89.68 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 118.651 0.66 . . . . 0.0 110.305 176.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.5 t -61.27 -38.26 79.44 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.354 0 CA-C-O 119.18 -0.438 . . . . 0.0 111.223 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.0 mt -60.75 -45.23 95.09 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.757 0.708 . . . . 0.0 110.337 171.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -84.37 54.94 3.16 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 124.394 1.078 . . . . 0.0 110.803 -179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 49.5 mtt -136.85 88.23 18.78 Favored Pre-proline 0 CA--C 1.534 0.357 0 N-CA-C 105.421 -2.066 . . . . 0.0 105.421 170.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -71.27 -6.42 19.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 123.71 2.94 . . . . 0.0 114.744 -168.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -89.05 -17.78 28.64 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.968 0.804 . . . . 0.0 110.377 178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 72.0 mt -73.89 143.83 45.64 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 171.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.4 p30 -89.64 174.79 7.55 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 169.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.99 -54.88 32.96 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 124.034 0.933 . . . . 0.0 111.875 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -54.54 -45.31 73.38 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 123.163 0.585 . . . . 0.0 111.342 -178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 34.9 mm-40 -62.19 -60.86 2.98 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.077 0.551 . . . . 0.0 111.357 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -61.41 -44.94 96.27 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 117.853 0.297 . . . . 0.0 111.728 -173.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -64.62 -41.76 95.96 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-O 119.371 -0.347 . . . . 0.0 110.574 177.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -54.34 -52.52 43.85 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.359 -0.696 . . . . 0.0 111.359 176.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -56.38 -51.92 66.53 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 123.904 0.882 . . . . 0.0 111.151 176.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 62.1 mt -56.73 -47.95 81.73 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.188 0 C-N-CA 123.582 0.753 . . . . 0.0 111.208 -178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mm-40 -64.36 -45.47 87.65 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 123.123 0.569 . . . . 0.0 111.056 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 33.5 t -55.33 -47.17 76.07 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.138 0.575 . . . . 0.0 110.721 176.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.25 -49.54 77.22 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 123.998 0.919 . . . . 0.0 109.848 176.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -56.3 -40.78 74.88 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.08 0.952 . . . . 0.0 111.333 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -63.32 -41.25 98.9 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.79 0.836 . . . . 0.0 111.311 178.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -131.62 85.97 50.53 Favored Pre-proline 0 CA--C 1.536 0.436 0 C-N-CA 123.653 0.781 . . . . 0.0 109.877 177.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -48.57 -31.86 19.63 Favored 'Trans proline' 0 C--N 1.348 0.532 1 C-N-CA 125.348 4.032 . . . . 0.0 115.17 -176.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 92.3 p -57.88 -24.48 57.82 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -179.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -88.96 38.07 0.87 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.257 0.623 . . . . 0.0 111.211 -176.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 73.9 m -63.31 -61.2 2.51 Favored 'General case' 0 C--N 1.34 0.181 0 C-N-CA 122.737 0.415 . . . . 0.0 109.917 177.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -44.07 79.91 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 124.017 0.927 . . . . 0.0 111.568 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 35.5 t30 -58.53 -58.32 9.08 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.473 0.709 . . . . 0.0 110.617 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.41 -44.06 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.161 0 CA-C-O 118.92 -0.562 . . . . 0.0 110.995 -177.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.0 mt -56.43 -47.58 78.8 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.474 0.579 . . . . 0.0 110.774 176.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.8 -60.94 8.11 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -53.86 -46.82 71.38 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.052 0.941 . . . . 0.0 111.549 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.13 -44.84 96.72 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.019 0.927 . . . . 0.0 111.499 179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.2 tp60 -64.69 -44.87 88.92 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 122.841 0.456 . . . . 0.0 111.054 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -60.14 -45.77 91.9 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 123.0 0.52 . . . . 0.0 110.404 176.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.78 -45.33 86.76 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 122.548 0.339 . . . . 0.0 110.746 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -52.74 -54.94 26.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.767 1.227 . . . . 0.0 109.934 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -57.76 -47.56 82.14 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.096 0.958 . . . . 0.0 111.528 -179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -66.55 -22.48 66.16 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -88.55 -63.66 1.26 Allowed 'General case' 0 C--N 1.341 0.236 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 -177.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 40.83 67.5 2.87 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.945 1.298 . . . . 0.0 113.568 177.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -82.05 -162.1 0.17 Allowed 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 123.877 3.051 . . . . 0.0 109.46 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm . . . . . 0 C--O 1.25 1.109 0 CA-C-O 117.157 -1.402 . . . . 0.0 109.603 178.202 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 111.659 0.244 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? -159.35 178.16 10.24 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.592 1.157 . . . . 0.0 109.397 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -149.57 164.97 33.63 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.315 1.046 . . . . 0.0 108.924 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 65.48 48.46 2.04 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 125.463 1.505 . . . . 0.0 111.478 178.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.26 22.01 3.54 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.734 1.214 . . . . 0.0 111.479 173.417 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.46 92.58 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 123.804 0.842 . . . . 0.0 111.877 -175.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -64.76 -57.13 9.78 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.738 0.815 . . . . 0.0 111.113 -176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -59.01 -40.14 84.04 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 122.944 0.498 . . . . 0.0 111.128 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.81 -45.62 93.07 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 123.235 0.614 . . . . 0.0 110.466 177.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.84 -50.98 71.96 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 118.258 0.481 . . . . 0.0 111.337 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -53.96 -51.66 63.15 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 122.63 0.372 . . . . 0.0 110.729 175.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -56.54 -48.72 76.68 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.066 0.947 . . . . 0.0 111.805 -178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -56.65 -50.98 70.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.227 1.011 . . . . 0.0 110.719 179.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.7 t -53.0 -44.13 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 C-N-CA 123.244 0.618 . . . . 0.0 111.002 179.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.78 -47.46 80.83 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.417 0.553 . . . . 0.0 111.323 175.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -61.53 -34.22 75.17 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 42.5 mtt -47.43 111.8 1.8 Allowed Pre-proline 0 CA--C 1.539 0.544 0 C-N-CA 124.484 1.114 . . . . 0.0 111.353 -177.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.35 -20.67 6.92 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.691 2.927 . . . . 0.0 113.551 -169.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 -88.41 -25.5 22.63 Favored 'General case' 0 C--N 1.34 0.169 0 CA-C-N 118.696 0.68 . . . . 0.0 109.873 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 64.7 mt -67.93 143.56 55.6 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 169.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 53.8 p30 -89.39 168.69 12.02 Favored 'General case' 0 N--CA 1.454 -0.259 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 169.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.21 -52.38 61.46 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 123.415 0.686 . . . . 0.0 111.644 -175.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.0 -48.02 76.68 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 123.409 0.684 . . . . 0.0 112.563 -177.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -66.02 -50.55 63.85 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 118.634 0.652 . . . . 0.0 111.402 -179.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 -66.64 -47.68 71.8 Favored 'General case' 0 C--N 1.342 0.274 0 CA-C-O 119.025 -0.512 . . . . 0.0 111.881 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -61.57 -31.39 71.44 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 118.425 0.557 . . . . 0.0 110.935 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.95 -50.59 54.25 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 169.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -66.23 -35.61 80.88 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 118.146 -0.931 . . . . 0.0 112.629 176.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -56.16 -49.62 75.03 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 CA-C-N 119.996 1.271 . . . . 0.0 109.506 174.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 29.2 mm100 -63.15 -41.29 99.24 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 122.774 0.43 . . . . 0.0 111.407 178.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.2 m -57.07 -44.1 82.73 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 118.272 0.487 . . . . 0.0 110.809 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.56 -43.36 90.07 Favored 'General case' 0 CA--C 1.533 0.308 0 C-N-CA 124.147 0.979 . . . . 0.0 110.145 178.136 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.6 tttp -57.65 -43.1 84.7 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.089 0.956 . . . . 0.0 110.482 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -67.1 -45.64 76.63 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.819 0.848 . . . . 0.0 110.861 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -118.14 76.53 12.02 Favored Pre-proline 0 CA--C 1.534 0.343 0 C-N-CA 124.901 1.28 . . . . 0.0 109.894 -176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -62.99 -31.63 76.69 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 123.254 2.636 . . . . 0.0 111.549 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.8 p -57.08 -37.6 72.12 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 124.714 1.206 . . . . 0.0 111.844 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -89.53 42.44 1.09 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.749 0.82 . . . . 0.0 110.99 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.8 t -63.71 -53.65 47.83 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.295 0.638 . . . . 0.0 110.419 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.63 -43.8 97.09 Favored 'General case' 0 CA--C 1.53 0.194 0 C-N-CA 123.964 0.905 . . . . 0.0 111.576 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -61.58 -56.24 22.08 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.326 0.65 . . . . 0.0 110.405 -179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -58.34 -42.8 84.84 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 123.499 0.72 . . . . 0.0 111.075 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 65.5 tp -58.55 -44.29 89.62 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.132 0.573 . . . . 0.0 110.609 175.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -58.11 -54.37 38.1 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.074 0.845 . . . . 0.0 111.332 176.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -54.13 -45.83 72.06 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 124.414 1.085 . . . . 0.0 110.929 178.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.48 -45.54 93.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.663 0.785 . . . . 0.0 111.43 177.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -65.37 -38.08 88.95 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 117.961 0.346 . . . . 0.0 111.373 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -63.25 -47.34 82.81 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.441 0.564 . . . . 0.0 110.287 175.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 54.0 tp -62.66 -37.66 87.25 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 123.536 0.734 . . . . 0.0 110.938 178.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -64.87 -52.11 58.37 Favored 'General case' 0 CA--C 1.53 0.205 0 C-N-CA 124.396 1.078 . . . . 0.0 110.48 176.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -59.3 -47.88 83.71 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.814 1.246 . . . . 0.0 111.291 -177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 63.4 p -59.99 -33.78 72.42 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.13 0.572 . . . . 0.0 112.048 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -89.64 8.2 32.64 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.591 0.756 . . . . 0.0 112.378 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.72 126.76 92.29 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 119.221 0.919 . . . . 0.0 110.233 178.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -55.06 99.28 0.06 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.846 0 C-N-CA 124.248 3.298 . . . . 0.0 111.68 172.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp . . . . . 0 C--O 1.251 1.137 0 C-N-CA 126.18 1.792 . . . . 0.0 110.349 -177.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 CA-C-O 120.644 0.259 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 56.0 50.73 13.24 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 124.962 1.305 . . . . 0.0 111.025 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -71.39 117.94 13.56 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.373 0.669 . . . . 0.0 110.043 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.8 t0 -73.86 91.01 1.94 Allowed 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 169.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -56.83 -39.21 73.79 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 123.846 0.859 . . . . 0.0 110.874 176.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.94 8.38 3.85 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.225 1.01 . . . . 0.0 113.188 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -60.04 -43.38 95.37 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 119.139 0.881 . . . . 0.0 110.064 173.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -58.27 -41.63 84.72 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.417 0.687 . . . . 0.0 110.741 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -64.56 -42.44 95.68 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.485 0.714 . . . . 0.0 110.455 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.98 -43.58 86.64 Favored 'General case' 0 CA--C 1.531 0.246 0 C-N-CA 123.086 0.554 . . . . 0.0 111.161 176.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -59.28 -48.88 79.96 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 117.749 0.249 . . . . 0.0 110.566 174.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 12.3 m-30 -57.98 -43.19 86.4 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 123.099 0.56 . . . . 0.0 111.299 -179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -56.58 -48.86 76.46 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.313 0.645 . . . . 0.0 110.585 176.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 79.6 t -62.15 -38.96 82.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.118 -0.468 . . . . 0.0 111.466 178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.67 -43.3 97.83 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 118.816 0.735 . . . . 0.0 110.533 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -80.64 62.06 4.56 Favored 'General case' 0 CA--C 1.532 0.273 0 C-N-CA 124.447 1.099 . . . . 0.0 110.33 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.1 mmt -132.27 87.62 42.58 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 125.633 1.573 . . . . 0.0 107.285 175.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -50.09 -31.24 27.5 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 124.754 3.636 . . . . 0.0 115.154 -174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -89.44 -12.12 41.12 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 123.111 0.564 . . . . 0.0 111.808 -172.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 63.8 mt -84.46 147.07 27.29 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 118.685 0.675 . . . . 0.0 110.282 175.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.7 p30 -89.93 174.08 7.87 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 169.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.38 -52.88 62.1 Favored 'General case' 0 CA--C 1.529 0.173 0 C-N-CA 123.836 0.854 . . . . 0.0 111.619 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -54.75 -47.22 74.12 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 123.845 0.858 . . . . 0.0 111.327 -176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -61.68 -58.98 5.91 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.149 0.98 . . . . 0.0 111.448 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -64.31 -44.18 92.37 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -63.81 -40.03 95.66 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 117.863 0.301 . . . . 0.0 110.369 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -52.06 -52.05 37.54 Favored Glycine 0 CA--C 1.528 0.889 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 174.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -60.52 -46.1 91.4 Favored 'General case' 0 CA--C 1.531 0.234 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.407 176.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.2 mt -55.55 -48.81 76.93 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-N 118.966 0.803 . . . . 0.0 110.9 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.6 mm100 -62.91 -42.3 99.74 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.693 0.397 . . . . 0.0 111.161 177.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 t -57.96 -38.61 76.33 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 118.203 0.456 . . . . 0.0 111.174 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.95 -45.2 78.5 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 123.892 0.877 . . . . 0.0 109.687 177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -57.77 -40.01 78.8 Favored 'General case' 0 CA--C 1.532 0.287 0 O-C-N 121.904 -0.498 . . . . 0.0 111.078 174.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -66.16 -37.41 85.58 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 123.463 0.705 . . . . 0.0 111.392 177.211 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -129.87 78.07 75.69 Favored Pre-proline 0 CA--C 1.535 0.387 0 C-N-CA 124.322 1.049 . . . . 0.0 110.472 -179.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -53.59 -41.59 72.52 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 124.084 3.189 . . . . 0.0 112.62 179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.4 p -53.91 -36.84 63.15 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.863 1.265 . . . . 0.0 112.255 177.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -89.67 42.44 1.09 Allowed 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.89 0.876 . . . . 0.0 110.99 -176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.8 p -63.32 -57.13 11.4 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.89 0.876 . . . . 0.0 110.275 178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.74 77.33 Favored 'General case' 0 CA--C 1.53 0.182 0 C-N-CA 124.592 1.157 . . . . 0.0 111.661 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.6 m-20 -60.04 -57.52 12.49 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 123.284 0.633 . . . . 0.0 110.043 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.29 -38.97 83.54 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 C-N-CA 124.2 1.0 . . . . 0.0 111.14 -175.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.2 tp -60.43 -44.49 95.73 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 123.174 0.589 . . . . 0.0 110.204 173.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.54 -50.48 64.75 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.945 0.783 . . . . 0.0 111.323 175.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -56.9 -44.74 82.65 Favored 'General case' 0 CA--C 1.529 0.16 0 C-N-CA 124.445 1.098 . . . . 0.0 110.82 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.74 -48.74 80.46 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.314 0.646 . . . . 0.0 111.191 178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 9.5 tp-100 -64.38 -38.5 91.25 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.665 0.386 . . . . 0.0 111.485 179.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -64.49 -49.85 69.75 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.19 0.45 . . . . 0.0 110.425 178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 tp -63.57 -38.26 90.45 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.051 0.541 . . . . 0.0 110.548 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -58.27 -61.35 2.63 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 124.379 1.071 . . . . 0.0 109.883 174.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -53.6 -50.62 65.25 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 124.736 1.214 . . . . 0.0 111.854 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.6 p -63.31 -24.32 67.8 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.964 0.906 . . . . 0.0 113.333 -176.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -88.71 -39.73 13.77 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.537 0.608 . . . . 0.0 110.538 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 70.97 169.91 0.12 Allowed Pre-proline 0 CA--C 1.542 0.669 0 C-N-CA 124.585 1.154 . . . . 0.0 110.796 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -55.73 98.64 0.06 OUTLIER 'Trans proline' 0 N--CA 1.457 -0.665 0 C-N-CA 124.315 3.343 . . . . 0.0 113.027 -177.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 C-N-CA 126.178 1.791 . . . . 0.0 111.61 179.623 . . . . . . . . 1 1 . 1 stop_ save_